[1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-1-methyl-2-(p-anisidino)ethyl] ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H23NO4S/c1-12-4-9-17-14(10-12)11-18(26-17)20(23)25-13(2)19(22)21-15-5-7-16(24-3)8-6-15/h5-8,11-13H,4,9-10H2,1-3H3,(H,21,22)