7-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; [3-methyl-8-oxidanylidene-7-(2-phenylazanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate

Systemtic Name: 7-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; [3-methyl-8-oxidanylidene-7-(2-phenylazanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate Openeye Name: 7-[(2-amino-2-phenyl-acetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; [7-[(2-anilinoacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate CAS Name: 7-[(2-amino-1-oxo-2-phenylethyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; carbonic acid [7-[(2-anilino-1-oxoethyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester IUPAC Name: 7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; [7-[(2-anilinoacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate Traditional Name: 7-[(2-amino-2-phenyl-acetyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; carbonic acid [7-[(2-anilinoacetyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester Formula: C32H34N6O9S2 MolecularWeight: 710.77716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.CC1=C(N2C(C(C2=O)NC(=O)CNC3=CC=CC=C3)SC1)OC(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.CC1=C(N2C(C(C2=O)NC(=O)CNC3=CC=CC=C3)SC1)OC(=O)O

InChI

InChI=1S/C16H17N3O5S.C16H17N3O4S/c1-9-8-25-15-12(13(21)19(15)14(9)24-16(22)23)18-11(20)7-17-10-5-3-2-4-6-10;1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,12,15,17H,7-8H2,1H3,(H,18,20)(H,22,23);2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)