[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C22H19NO4S MolecularWeight: 393.45556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C22H19NO4S/c1-15-8-10-16(11-9-15)21(25)18-6-2-3-7-19(18)22(26)27-14-20(24)23-13-17-5-4-12-28-17/h2-12H,13-14H2,1H3,(H,23,24)