7-[(2-azanyl-2-cyclohexa-1,4-dien-1-yl-ethanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2-azanyl-2-cyclohexa-1,4-dien-1-yl-ethanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-amino-2-cyclohexa-1,4-dien-1-yl-acetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-amino-2-(1-cyclohexa-1,4-dienyl)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-amino-2-cyclohexa-1,4-dien-1-ylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-amino-2-cyclohexa-1,4-dien-1-yl-acetyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(=C1)C(C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O)N

Isomeric SMILES

C1C=CCC(=C1)C(C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O)N

InChI

InChI=1S/C15H17N3O4S/c16-10(8-4-2-1-3-5-8)12(19)17-11-13(20)18-9(15(21)22)6-7-23-14(11)18/h1-2,5-6,10-11,14H,3-4,7,16H2,(H,17,19)(H,21,22)