7-[(2-azanyl-2-cyclohexa-1,4-dien-1-yl-ethanoyl)amino]-4-methyl-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]-4-methyl-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]-4-methyl-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]-4-methyl-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]-4-methyl-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-4-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C(S1)C(C2=O)NC(=O)C(C3=CCC=CC3)N)C(=O)O

Isomeric SMILES

CC1C=C(N2C(S1)C(C2=O)NC(=O)C(C3=CCC=CC3)N)C(=O)O

InChI

InChI=1S/C16H19N3O4S/c1-8-7-10(16(22)23)19-14(21)12(15(19)24-8)18-13(20)11(17)9-5-3-2-4-6-9/h2-3,6-8,11-12,15H,4-5,17H2,1H3,(H,18,20)(H,22,23)