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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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