[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate

Systemtic Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate Openeye Name: [2-[5-(2-acetamidoethyl)-2-thienyl]-2-oxo-ethyl] 1-(3-chlorophenyl)cyclohexanecarboxylate CAS Name: 1-(3-chlorophenyl)-1-cyclohexanecarboxylic acid [2-[5-(2-acetamidoethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate Traditional Name: 1-(3-chlorophenyl)cyclohexanecarboxylic acid [2-[5-(2-acetamidoethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C23H26ClNO4S MolecularWeight: 447.97484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(S1)C(=O)COC(=O)C2(CCCCC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)NCCC1=CC=C(S1)C(=O)COC(=O)C2(CCCCC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H26ClNO4S/c1-16(26)25-13-10-19-8-9-21(30-19)20(27)15-29-22(28)23(11-3-2-4-12-23)17-6-5-7-18(24)14-17/h5-9,14H,2-4,10-13,15H2,1H3,(H,25,26)