[2-oxidanylidene-2-(propylamino)ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-keto-2-(propylamino)ethyl] ester Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3S/c1-3-6-15-12(16)8-18-13(17)10-7-9(19-2)4-5-11(10)14/h4-5,7H,3,6,8H2,1-2H3,(H,15,16)