7-[[(2E)-2-acetyloxyimino-2-(3-hydroxyphenyl)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-acetyloxyimino-2-(3-hydroxyphenyl)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-acetoxyimino-2-(3-hydroxyphenyl)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-acetyloxyimino-2-(3-hydroxyphenyl)-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-acetyloxyimino-2-(3-hydroxyphenyl)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-acetyloximino-2-(3-hydroxyphenyl)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: C20H19N7O7S2 MolecularWeight: 533.53756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON=C(C1=CC(=CC=C1)O)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O

Isomeric SMILES

CC(=O)O/N=C(\C1=CC(=CC=C1)O)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O

InChI

InChI=1S/C20H19N7O7S2/c1-9(28)34-23-13(10-4-3-5-12(29)6-10)16(30)21-14-17(31)27-15(19(32)33)11(7-35-18(14)27)8-36-20-22-24-25-26(20)2/h3-6,14,18,29H,7-8H2,1-2H3,(H,21,30)(H,32,33)/b23-13+