methyl 3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-keto-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl]thio]methyl]benzoic acid methyl ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CSCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C18H25NO3S/c1-13-6-3-4-9-16(13)19-17(20)12-23-11-14-7-5-8-15(10-14)18(21)22-2/h5,7-8,10,13,16H,3-4,6,9,11-12H2,1-2H3,(H,19,20)/t13-,16-/m0/s1