[(2S)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-2-keto-2-(m-anisidino)-1-methyl-ethyl] ester Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)O[C@@H](C)C(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H19NO4S/c1-12-16-9-4-5-10-17(16)26-18(12)20(23)25-13(2)19(22)21-14-7-6-8-15(11-14)24-3/h4-11,13H,1-3H3,(H,21,22)/t13-/m0/s1