2-methylsulfanylethyl (6R)-3-methyl-4-oxidanylidene-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: 2-methylsulfanylethyl (6R)-3-methyl-4-oxidanylidene-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: 2-methylsulfanylethyl (6R)-3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (6R)-3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-4-keto-3-methyl-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-(methylthio)ethyl ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CC(C2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCCSC

Isomeric SMILES

CC1=C(NC2=C1C(=O)C[C@@H](C2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCCSC

InChI

InChI=1S/C22H27NO6S/c1-12-19-15(23-20(12)22(25)29-6-7-30-5)8-13(9-16(19)24)14-10-17(26-2)21(28-4)18(11-14)27-3/h10-11,13,23H,6-9H2,1-5H3/t13-/m1/s1