[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C15H20ClNO3S MolecularWeight: 329.8422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClNO3S/c1-10(2)6-7-17-14(18)9-20-15(19)12-8-11(21-3)4-5-13(12)16/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,18)