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

Systemtic Name: [1-[(4-ethoxycarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-ethoxycarbonylanilino)-1-methyl-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(4-ethoxycarbonylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxycarbonylanilino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(4-carbethoxyanilino)-2-keto-1-methyl-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)C(C)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C21H23NO5S/c1-3-26-20(24)14-8-10-16(11-9-14)22-19(23)13(2)27-21(25)18-12-15-6-4-5-7-17(15)28-18/h8-13H,3-7H2,1-2H3,(H,22,23)