[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C20H21NO4S/c1-3-6-19(23)21-15-11-9-14(10-12-15)17(22)13-25-20(24)16-7-4-5-8-18(16)26-2/h4-5,7-12H,3,6,13H2,1-2H3,(H,21,23)