methyl 1-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-(m-tolylmethylsulfanyl)acetyl]amino]cyclohexanecarboxylate CAS Name: 1-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-[(3-methylbenzyl)thio]acetyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2(CCCCC2)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2(CCCCC2)C(=O)OC

InChI

InChI=1S/C18H25NO3S/c1-14-7-6-8-15(11-14)12-23-13-16(20)19-18(17(21)22-2)9-4-3-5-10-18/h6-8,11H,3-5,9-10,12-13H2,1-2H3,(H,19,20)