[1-oxidanylidene-1-(propylamino)propan-2-yl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(C=CC(=C1)SC)Cl

Isomeric SMILES

CCCNC(=O)C(C)OC(=O)C1=C(C=CC(=C1)SC)Cl

InChI

InChI=1S/C14H18ClNO3S/c1-4-7-16-13(17)9(2)19-14(18)11-8-10(20-3)5-6-12(11)15/h5-6,8-9H,4,7H2,1-3H3,(H,16,17)