(6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[[(3Z)-3-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-oxazol-5-yl]methoxyimino]ethanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[[(3Z)-3-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-oxazol-5-yl]methoxyimino]ethanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-[[(3Z)-3-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)isoxazol-5-yl]methoxyimino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[[(3Z)-3-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-5-isoxazolyl]methoxyimino]-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[[(3Z)-3-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-oxazol-5-yl]methoxyimino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-[[(3Z)-3-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-4-isoxazolin-5-yl]methyloximino]acetyl]amino]-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H22N10O8S3 MolecularWeight: 686.69938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOCC4=CC(=C5C=CC(=O)C(=C5)O)NO4)C6=CSC(=N6)N)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OCC4=C/C(=C/5\C=CC(=O)C(=C5)O)/NO4)/C6=CSC(=N6)N)SC2)C(=O)O

InChI

InChI=1S/C25H22N10O8S3/c1-34-25(29-32-33-34)46-8-11-7-44-22-18(21(39)35(22)19(11)23(40)41)28-20(38)17(14-9-45-24(26)27-14)31-42-6-12-5-13(30-43-12)10-2-3-15(36)16(37)4-10/h2-5,9,18,22,30,37H,6-8H2,1H3,(H2,26,27)(H,28,38)(H,40,41)/b13-10-,31-17-/t18-,22-/m1/s1