methyl (2S)-4-methylsulfanyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[(4-morpholinosulfonylbenzoyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(4-morpholinosulfonylbenzoyl)amino]butyric acid methyl ester Formula: C17H24N2O6S2 MolecularWeight: 416.51226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C17H24N2O6S2/c1-24-17(21)15(7-12-26-2)18-16(20)13-3-5-14(6-4-13)27(22,23)19-8-10-25-11-9-19/h3-6,15H,7-12H2,1-2H3,(H,18,20)/t15-/m0/s1