methyl 4-methylsulfanyl-2-[[5-(3-methyl-4-sulfanyl-butoxy)-2-propan-2-yl-phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[5-(3-methyl-4-sulfanyl-butoxy)-2-propan-2-yl-phenyl]carbonylamino]butanoate Openeye Name: methyl 2-[[2-isopropyl-5-(3-methyl-4-sulfanyl-butoxy)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[5-(4-mercapto-3-methylbutoxy)-2-propan-2-ylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[5-(3-methyl-4-sulfanylbutoxy)-2-propan-2-ylbenzoyl]amino]butanoate Traditional Name: 2-[[2-isopropyl-5-(4-mercapto-3-methyl-butoxy)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C21H33NO4S2 MolecularWeight: 427.62102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)OCCC(C)CS)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)OCCC(C)CS)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C21H33NO4S2/c1-14(2)17-7-6-16(26-10-8-15(3)13-27)12-18(17)20(23)22-19(9-11-28-5)21(24)25-4/h6-7,12,14-15,19,27H,8-11,13H2,1-5H3,(H,22,23)