methyl 1-[3-(4-chlorophenyl)sulfanylpropanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[3-(4-chlorophenyl)sulfanylpropanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[3-(4-chlorophenyl)sulfanylpropanoylamino]cyclohexanecarboxylate CAS Name: 1-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(4-chlorophenyl)sulfanylpropanoylamino]cyclohexane-1-carboxylate Traditional Name: 1-[3-[(4-chlorophenyl)thio]propanoylamino]cyclohexanecarboxylic acid methyl ester Formula: C17H22ClNO3S MolecularWeight: 355.87948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H22ClNO3S/c1-22-16(21)17(10-3-2-4-11-17)19-15(20)9-12-23-14-7-5-13(18)6-8-14/h5-8H,2-4,9-12H2,1H3,(H,19,20)