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

Systemtic Name: methyl 3-[[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-(isobutylamino)-1-methyl-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[1-(2-methylpropylamino)-1-oxopropan-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-(isobutylamino)-2-keto-1-methyl-ethyl]thio]methyl]benzoic acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)SCC1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

CC(C)CNC(=O)C(C)SCC1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C16H23NO3S/c1-11(2)9-17-15(18)12(3)21-10-13-6-5-7-14(8-13)16(19)20-4/h5-8,11-12H,9-10H2,1-4H3,(H,17,18)