[(2S)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/c1-12-15-7-5-6-8-18(15)28-19(12)21(24)27-13(2)20(23)22-14-9-10-16(25-3)17(11-14)26-4/h5-11,13H,1-4H3,(H,22,23)/t13-/m0/s1