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

Systemtic Name: methyl (2S)-2-[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H23NO3S3 MolecularWeight: 385.56442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)C2SCCCS2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)C2SCCCS2

InChI

InChI=1S/C17H23NO3S3/c1-21-16(20)14(8-11-22-2)18-15(19)12-4-6-13(7-5-12)17-23-9-3-10-24-17/h4-7,14,17H,3,8-11H2,1-2H3,(H,18,19)/t14-/m0/s1