sodium (7R)-3-methyl-8-oxidanylidene-7-[(2-phenylazanylphenyl)carbonylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium (7R)-3-methyl-8-oxidanylidene-7-[(2-phenylazanylphenyl)carbonylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium (7R)-7-[(2-anilinobenzoyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium (7R)-7-[[(2-anilinophenyl)-oxomethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium (7R)-7-[(2-anilinobenzoyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium (7R)-7-[(2-anilinobenzoyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C21H18N3NaO4S MolecularWeight: 431.44009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C3=CC=CC=C3NC4=CC=CC=C4)SC1)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(N2C([C@@H](C2=O)NC(=O)C3=CC=CC=C3NC4=CC=CC=C4)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H19N3O4S.Na/c1-12-11-29-20-16(19(26)24(20)17(12)21(27)28)23-18(25)14-9-5-6-10-15(14)22-13-7-3-2-4-8-13;/h2-10,16,20,22H,11H2,1H3,(H,23,25)(H,27,28);/q;+1/p-1/t16-,20?;/m1./s1