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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)SC)Cl

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)SC)Cl

InChI

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