[2-(butylamino)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=C(C=C(C=C1)SC)OC

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=C(C=C(C=C1)SC)OC

InChI

InChI=1S/C15H21NO4S/c1-4-5-8-16-14(17)10-20-15(18)12-7-6-11(21-3)9-13(12)19-2/h6-7,9H,4-5,8,10H2,1-3H3,(H,16,17)