[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO4S/c1-15-9-11-17(12-10-15)21(25)19-7-3-4-8-20(19)23(27)28-16(2)22(26)24-14-18-6-5-13-29-18/h3-13,16H,14H2,1-2H3,(H,24,26)