methyl (2R,3R)-2,3-diacetyloxy-4-[2-(1H-indol-3-yl)ethylamino]-4-sulfanylidene-butanoate

Systemtic Name: methyl (2R,3R)-2,3-diacetyloxy-4-[2-(1H-indol-3-yl)ethylamino]-4-sulfanylidene-butanoate Openeye Name: methyl (2R,3R)-2,3-diacetoxy-4-[2-(1H-indol-3-yl)ethylamino]-4-thioxo-butanoate CAS Name: (2R,3R)-2,3-diacetyloxy-4-[2-(1H-indol-3-yl)ethylamino]-4-sulfanylidenebutanoic acid methyl ester IUPAC Name: methyl (2R,3R)-2,3-diacetyloxy-4-[2-(1H-indol-3-yl)ethylamino]-4-sulfanylidenebutanoate Traditional Name: (2R,3R)-2,3-diacetoxy-4-[2-(1H-indol-3-yl)ethylamino]-4-thioxo-butyric acid methyl ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(C(=O)OC)OC(=O)C)C(=S)NCCC1=CNC2=CC=CC=C21

Isomeric SMILES

CC(=O)O[C@H]([C@H](C(=O)OC)OC(=O)C)C(=S)NCCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C19H22N2O6S/c1-11(22)26-16(17(19(24)25-3)27-12(2)23)18(28)20-9-8-13-10-21-15-7-5-4-6-14(13)15/h4-7,10,16-17,21H,8-9H2,1-3H3,(H,20,28)/t16-,17-/m1/s1