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

Systemtic Name: methyl (2S)-2-[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-methyl-1-methylsulfonyl-indoline-5-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S)-1-mesyl-2-methyl-indoline-5-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H24N2O5S2 MolecularWeight: 400.51286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C17H24N2O5S2/c1-11-9-13-10-12(5-6-15(13)19(11)26(4,22)23)16(20)18-14(7-8-25-3)17(21)24-2/h5-6,10-11,14H,7-9H2,1-4H3,(H,18,20)/t11-,14-/m0/s1