methyl (2R,3S)-3-(4-iodanyl-1H-indol-3-yl)-2-sulfanyl-butanoate

Systemtic Name: methyl (2R,3S)-3-(4-iodanyl-1H-indol-3-yl)-2-sulfanyl-butanoate Openeye Name: methyl (2R,3S)-3-(4-iodo-1H-indol-3-yl)-2-sulfanyl-butanoate CAS Name: (2R,3S)-3-(4-iodo-1H-indol-3-yl)-2-mercaptobutanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-(4-iodo-1H-indol-3-yl)-2-sulfanylbutanoate Traditional Name: (2R,3S)-3-(4-iodo-1H-indol-3-yl)-2-mercapto-butyric acid methyl ester Formula: C13H14INO2S MolecularWeight: 375.22523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNC2=C1C(=CC=C2)I)C(C(=O)OC)S

Isomeric SMILES

C[C@@H](C1=CNC2=C1C(=CC=C2)I)[C@H](C(=O)OC)S

InChI

InChI=1S/C13H14INO2S/c1-7(12(18)13(16)17-2)8-6-15-10-5-3-4-9(14)11(8)10/h3-7,12,15,18H,1-2H3/t7-,12+/m0/s1