3-(acetyloxymethyl)-7-[(2-isocyanato-2-phenyl-ethanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-7-[(2-isocyanato-2-phenyl-ethanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-[(2-isocyanato-2-phenyl-acetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[(2-isocyanato-1-oxo-2-phenylethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-[(2-isocyanato-2-phenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-[(2-isocyanato-2-phenyl-acetyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H17N3O7S MolecularWeight: 431.41918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N=C=O)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N=C=O)SC1)C(=O)O

InChI

InChI=1S/C19H17N3O7S/c1-10(24)29-7-12-8-30-18-14(17(26)22(18)15(12)19(27)28)21-16(25)13(20-9-23)11-5-3-2-4-6-11/h2-6,13-14,18H,7-8H2,1H3,(H,21,25)(H,27,28)