[4-[2-(3-methylbutyldisulfanyl)ethylcarbamoyl]phenyl]methyl 4-(methylsulfanylamino)-4-oxidanylidene-butanoate

Systemtic Name: [4-[2-(3-methylbutyldisulfanyl)ethylcarbamoyl]phenyl]methyl 4-(methylsulfanylamino)-4-oxidanylidene-butanoate Openeye Name: [4-[2-(isopentyldisulfanyl)ethylcarbamoyl]phenyl]methyl 4-(methylsulfanylamino)-4-oxo-butanoate CAS Name: 4-[(methylthio)amino]-4-oxobutanoic acid [4-[[2-(3-methylbutyldisulfanyl)ethylamino]-oxomethyl]phenyl]methyl ester IUPAC Name: [4-[2-(3-methylbutyldisulfanyl)ethylcarbamoyl]phenyl]methyl 4-(methylsulfanylamino)-4-oxobutanoate Traditional Name: 4-keto-4-[(methylthio)amino]butyric acid [4-[2-(isoamyldisulfanyl)ethylcarbamoyl]benzyl] ester Formula: C20H30N2O4S3 MolecularWeight: 458.6582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSSCCNC(=O)C1=CC=C(C=C1)COC(=O)CCC(=O)NSC

Isomeric SMILES

CC(C)CCSSCCNC(=O)C1=CC=C(C=C1)COC(=O)CCC(=O)NSC

InChI

InChI=1S/C20H30N2O4S3/c1-15(2)10-12-28-29-13-11-21-20(25)17-6-4-16(5-7-17)14-26-19(24)9-8-18(23)22-27-3/h4-7,15H,8-14H2,1-3H3,(H,21,25)(H,22,23)