[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-ethoxycarbonylanilino)-2-oxo-ethyl] (5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(4-ethoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonylanilino)-2-oxoethyl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(4-carbethoxyanilino)-2-keto-ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(S2)CCC(C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(S2)CC[C@H](C3)C

InChI

InChI=1S/C21H23NO5S/c1-3-26-20(24)14-5-7-16(8-6-14)22-19(23)12-27-21(25)18-11-15-10-13(2)4-9-17(15)28-18/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,22,23)/t13-/m1/s1