methyl 3-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-(isopropylamino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-(isopropylamino)-2-keto-ethyl]thio]methyl]benzoic acid methyl ester Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSCC1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

CC(C)NC(=O)CSCC1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C14H19NO3S/c1-10(2)15-13(16)9-19-8-11-5-4-6-12(7-11)14(17)18-3/h4-7,10H,8-9H2,1-3H3,(H,15,16)