[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-[(3-methylphenyl)methoxy]benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-[(3-methylphenyl)methoxy]benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 3-(m-tolylmethoxy)benzoate CAS Name: 3-[(3-methylphenyl)methoxy]benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-[(3-methylphenyl)methoxy]benzoate Traditional Name: 3-(3-methylbenzyl)oxybenzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C22H21NO4S/c1-16-5-2-6-17(11-16)14-26-19-8-3-7-18(12-19)22(25)27-15-21(24)23-13-20-9-4-10-28-20/h2-12H,13-15H2,1H3,(H,23,24)