4-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 4-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-[(2-amino-2-phenyl-acetyl)amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-[(2-amino-1-oxo-2-phenylethyl)amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-[(2-amino-2-phenylacetyl)amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-[(2-amino-2-phenyl-acetyl)amino]-3-chloro-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H14ClN3O4S MolecularWeight: 367.80736

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(C(S2)NC(=O)C(C3=CC=CC=C3)N)Cl)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=C(C(S2)NC(=O)C(C3=CC=CC=C3)N)Cl)C(=O)O

InChI

InChI=1S/C15H14ClN3O4S/c16-10-12(15(22)23)19-8(20)6-9(19)24-14(10)18-13(21)11(17)7-4-2-1-3-5-7/h1-5,9,11,14H,6,17H2,(H,18,21)(H,22,23)