[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5S/c1-13(2)10-11-20-19(25)21-17(23)12-26-18(24)9-8-16(22)14-4-6-15(27-3)7-5-14/h4-7,13H,8-12H2,1-3H3,(H2,20,21,23,25)