methyl (2S)-4-methylsulfanyl-2-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[(1-methylsulfonylindoline-5-carbonyl)amino]butanoate CAS Name: (2S)-2-[[(1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]butanoate Traditional Name: (2S)-2-[(1-mesylindoline-5-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H22N2O5S2/c1-23-16(20)13(7-9-24-2)17-15(19)12-4-5-14-11(10-12)6-8-18(14)25(3,21)22/h4-5,10,13H,6-9H2,1-3H3,(H,17,19)/t13-/m0/s1