7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(1,2-oxazol-3-ylmethoxyimino)ethanoyl]amino]-8-oxidanylidene-3-[(1-prop-2-enyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(1,2-oxazol-3-ylmethoxyimino)ethanoyl]amino]-8-oxidanylidene-3-[(1-prop-2-enyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(1-allyltetrazol-5-yl)sulfanylmethyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(isoxazol-3-ylmethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(3-isoxazolylmethoxyimino)-1-oxoethyl]amino]-8-oxo-3-[[(1-prop-2-enyl-5-tetrazolyl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(1,2-oxazol-3-ylmethoxyimino)acetyl]amino]-8-oxo-3-[(1-prop-2-enyltetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[(1-allyltetrazol-5-yl)thio]methyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(isoxazol-3-ylmethyloximino)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H20N10O6S3 MolecularWeight: 604.6419

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOCC4=NOC=C4)C5=CSC(=N5)N)SC2)C(=O)O

Isomeric SMILES

C=CCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OCC4=NOC=C4)/C5=CSC(=N5)N)SC2)C(=O)O

InChI

InChI=1S/C21H20N10O6S3/c1-2-4-30-21(25-28-29-30)40-8-10-7-38-18-14(17(33)31(18)15(10)19(34)35)24-16(32)13(12-9-39-20(22)23-12)27-37-6-11-3-5-36-26-11/h2-3,5,9,14,18H,1,4,6-8H2,(H2,22,23)(H,24,32)(H,34,35)/b27-13+