methyl 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: methyl 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: methyl 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]benzoic acid methyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SCC(=O)NCC2CCCCC2

Isomeric SMILES

COC(=O)C1=CC=CC=C1SCC(=O)NCC2CCCCC2

InChI

InChI=1S/C17H23NO3S/c1-21-17(20)14-9-5-6-10-15(14)22-12-16(19)18-11-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,19)