[(1R)-1-(4-methoxyphenyl)-2-oxidanylidene-2-(phenethylamino)ethyl] thiophene-2-carboxylate

Systemtic Name: [(1R)-1-(4-methoxyphenyl)-2-oxidanylidene-2-(phenethylamino)ethyl] thiophene-2-carboxylate Openeye Name: [(1R)-1-(4-methoxyphenyl)-2-oxo-2-(phenethylamino)ethyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [(1R)-1-(4-methoxyphenyl)-2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [(1R)-1-(4-methoxyphenyl)-2-oxo-2-(phenethylamino)ethyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [(1R)-2-keto-1-(4-methoxyphenyl)-2-(phenethylamino)ethyl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(=O)NCCC2=CC=CC=C2)OC(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C(=O)NCCC2=CC=CC=C2)OC(=O)C3=CC=CS3

InChI

InChI=1S/C22H21NO4S/c1-26-18-11-9-17(10-12-18)20(27-22(25)19-8-5-15-28-19)21(24)23-14-13-16-6-3-2-4-7-16/h2-12,15,20H,13-14H2,1H3,(H,23,24)/t20-/m1/s1