7-benzamido-3-[(2-methylpyrrolidin-1-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-benzamido-3-[(2-methylpyrrolidin-1-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-benzamido-3-[(2-methylpyrrolidin-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-benzamido-3-[(2-methyl-1-pyrrolidinyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-benzamido-3-[(2-methylpyrrolidin-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-benzamido-8-keto-3-[(2-methylpyrrolidino)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1CC2=C(N3C(C(C3=O)NC(=O)C4=CC=CC=C4)SC2)C(=O)O

Isomeric SMILES

CC1CCCN1CC2=C(N3C(C(C3=O)NC(=O)C4=CC=CC=C4)SC2)C(=O)O

InChI

InChI=1S/C20H23N3O4S/c1-12-6-5-9-22(12)10-14-11-28-19-15(18(25)23(19)16(14)20(26)27)21-17(24)13-7-3-2-4-8-13/h2-4,7-8,12,15,19H,5-6,9-11H2,1H3,(H,21,24)(H,26,27)