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

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(N-isopropylanilino)-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 [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N(C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N(C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H25NO3S/c1-14(2)22(17-7-5-4-6-8-17)20(23)13-25-21(24)19-12-16-11-15(3)9-10-18(16)26-19/h4-8,12,14-15H,9-11,13H2,1-3H3