[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1=C(C=C(C=C1)SC)OC

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1=C(C=C(C=C1)SC)OC

InChI

InChI=1S/C17H24N2O5S/c1-11(2)7-8-18-17(22)19-15(20)10-24-16(21)13-6-5-12(25-4)9-14(13)23-3/h5-6,9,11H,7-8,10H2,1-4H3,(H2,18,19,20,22)