methyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]thio]methyl]benzoic acid methyl ester Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSCC(=O)NCCC2=CCCCC2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSCC(=O)NCCC2=CCCCC2

InChI

InChI=1S/C19H25NO3S/c1-23-19(22)17-9-5-8-16(12-17)13-24-14-18(21)20-11-10-15-6-3-2-4-7-15/h5-6,8-9,12H,2-4,7,10-11,13-14H2,1H3,(H,20,21)