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

Systemtic Name: 7-[(2-azanyl-2-phenyl-ethanoyl)amino]-7-methoxy-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-amino-2-phenyl-acetyl)amino]-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-amino-1-oxo-2-phenylethyl)amino]-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-amino-2-phenylacetyl)amino]-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-amino-2-phenyl-acetyl)amino]-8-keto-7-methoxy-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)(NC(=O)C(C3=CC=CC=C3)N)OC)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)(NC(=O)C(C3=CC=CC=C3)N)OC)SC1)C(=O)O

InChI

InChI=1S/C17H19N3O5S/c1-9-8-26-16-17(25-2,15(24)20(16)12(9)14(22)23)19-13(21)11(18)10-6-4-3-5-7-10/h3-7,11,16H,8,18H2,1-2H3,(H,19,21)(H,22,23)