7-[(2-azanyl-2-phenyl-ethanoyl)amino]-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2-azanyl-2-phenyl-ethanoyl)amino]-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-amino-2-phenyl-acetyl)amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-amino-1-oxo-2-phenylethyl)amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-amino-2-phenylacetyl)amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-amino-2-phenyl-acetyl)amino]-8-keto-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(=O)N2C(=CS1)C(=O)O)NC(=O)C(C3=CC=CC=C3)N

Isomeric SMILES

C1C2C(C(=O)N2C(=CS1)C(=O)O)NC(=O)C(C3=CC=CC=C3)N

InChI

InChI=1S/C15H15N3O4S/c16-11(8-4-2-1-3-5-8)13(19)17-12-9-6-23-7-10(15(21)22)18(9)14(12)20/h1-5,7,9,11-12H,6,16H2,(H,17,19)(H,21,22)