7-[[(2E)-2-(3-chloranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-(methoxyamino)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: 7-[[(2E)-2-(3-chloranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-(methoxyamino)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: 7-[[(2E)-2-(3-chloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-(methoxyamino)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: 7-[[(2E)-2-(3-chloro-4-oxo-1-cyclohexa-2,5-dienylidene)-2-(methoxyamino)-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: 7-[[(2E)-2-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)-2-(methoxyamino)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: 7-[[(2E)-2-(3-chloro-4-keto-cyclohexa-2,5-dien-1-ylidene)-2-(methoxyamino)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: C19H18ClN7O6S2 MolecularWeight: 539.97252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=C4C=CC(=O)C(=C4)Cl)NOC)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=C\4/C=CC(=O)C(=C4)Cl)/NOC)SC2)C(=O)O

InChI

InChI=1S/C19H18ClN7O6S2/c1-26-19(22-24-25-26)35-7-9-6-34-17-13(16(30)27(17)14(9)18(31)32)21-15(29)12(23-33-2)8-3-4-11(28)10(20)5-8/h3-5,13,17,23H,6-7H2,1-2H3,(H,21,29)(H,31,32)/b12-8+