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

Systemtic Name: 2-methylsulfanylethyl (6R)-6-(2,5-dimethoxyphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: 2-methylsulfanylethyl (6R)-6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (6R)-6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-6-(2,5-dimethoxyphenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-(methylthio)ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-12-19-16(22-20(12)21(24)27-7-8-28-4)9-13(10-17(19)23)15-11-14(25-2)5-6-18(15)26-3/h5-6,11,13,22H,7-10H2,1-4H3/t13-/m1/s1