methyl (2R)-2-[[4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[4-(3,4-dimethylphenyl)-4-oxo-butanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[4-(3,4-dimethylphenyl)-1,4-dioxobutyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[4-(3,4-dimethylphenyl)-4-keto-butanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)NC(CCSC)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)N[C@H](CCSC)C(=O)OC)C

InChI

InChI=1S/C18H25NO4S/c1-12-5-6-14(11-13(12)2)16(20)7-8-17(21)19-15(9-10-24-4)18(22)23-3/h5-6,11,15H,7-10H2,1-4H3,(H,19,21)/t15-/m1/s1