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

Systemtic Name: 3-methyl-8-oxidanylidene-7-[(phenylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(benzylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-methyl-8-oxo-7-[(phenylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(benzylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(benzylamino)-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NCC3=CC=CC=C3)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NCC3=CC=CC=C3)SC1)C(=O)O

InChI

InChI=1S/C15H16N2O3S/c1-9-8-21-14-11(13(18)17(14)12(9)15(19)20)16-7-10-5-3-2-4-6-10/h2-6,11,14,16H,7-8H2,1H3,(H,19,20)