methyl 3-[2-[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[2-[cyclohexyl(methyl)amino]-2-oxo-ethyl]sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[[2-[cyclohexyl(methyl)amino]-2-keto-ethyl]thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC(=O)N(C)C2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC(=O)N(C)C2CCCCC2

InChI

InChI=1S/C20H28N2O4S/c1-14-9-10-15(20(25)26-3)11-17(14)21-18(23)12-27-13-19(24)22(2)16-7-5-4-6-8-16/h9-11,16H,4-8,12-13H2,1-3H3,(H,21,23)