[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-methylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-methylbenzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C16H17NO3S MolecularWeight: 303.37608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(=O)NCCC2=CC=CS2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C16H17NO3S/c1-12-4-6-13(7-5-12)16(19)20-11-15(18)17-9-8-14-3-2-10-21-14/h2-7,10H,8-9,11H2,1H3,(H,17,18)