methyl (2S)-4-methylsulfanyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[(3-morpholinosulfonylbenzoyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(3-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(=CC=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

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

InChI

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