methyl 3-[[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-(cycloheptylamino)-1-methyl-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[1-(cycloheptylamino)-1-oxopropan-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-(cycloheptylamino)-2-keto-1-methyl-ethyl]thio]methyl]benzoic acid methyl ester Formula: C19H27NO3S MolecularWeight: 349.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)SCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C19H27NO3S/c1-14(18(21)20-17-10-5-3-4-6-11-17)24-13-15-8-7-9-16(12-15)19(22)23-2/h7-9,12,14,17H,3-6,10-11,13H2,1-2H3,(H,20,21)