ethyl 4-ethyl-1-[2-(4-methoxy-2-methylsulfanyl-phenyl)ethanoylamino]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-ethyl-1-[2-(4-methoxy-2-methylsulfanyl-phenyl)ethanoylamino]cyclohexane-1-carboxylate Openeye Name: ethyl 4-ethyl-1-[[2-(4-methoxy-2-methylsulfanyl-phenyl)acetyl]amino]cyclohexanecarboxylate CAS Name: 4-ethyl-1-[[2-[4-methoxy-2-(methylthio)phenyl]-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-1-[[2-(4-methoxy-2-methylsulfanylphenyl)acetyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-ethyl-1-[[2-[4-methoxy-2-(methylthio)phenyl]acetyl]amino]cyclohexanecarboxylic acid ethyl ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)(C(=O)OCC)NC(=O)CC2=C(C=C(C=C2)OC)SC

Isomeric SMILES

CCC1CCC(CC1)(C(=O)OCC)NC(=O)CC2=C(C=C(C=C2)OC)SC

InChI

InChI=1S/C21H31NO4S/c1-5-15-9-11-21(12-10-15,20(24)26-6-2)22-19(23)13-16-7-8-17(25-3)14-18(16)27-4/h7-8,14-15H,5-6,9-13H2,1-4H3,(H,22,23)