methyl (2S)-2-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H21NO3S3 MolecularWeight: 371.53784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C16H21NO3S3/c1-20-15(19)13(7-8-21-2)17-14(18)11-3-5-12(6-4-11)16-22-9-10-23-16/h3-6,13,16H,7-10H2,1-2H3,(H,17,18)/t13-/m0/s1