[(2R)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [(1R)-2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)O[C@H](C)C(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H23NO4S/c1-12-4-9-18-16(10-12)11-19(27-18)21(25)26-13(2)20(24)15-5-7-17(8-6-15)22-14(3)23/h5-8,11-13H,4,9-10H2,1-3H3,(H,22,23)/t12-,13+/m0/s1