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

Systemtic Name: 2-methylsulfanylethyl (6R)-6-(3,4-dimethoxyphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: 2-methylsulfanylethyl (6R)-6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (6R)-6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-6-(3,4-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=CC(=C(C=C3)OC)OC)C(=O)OCCSC

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-12-19-15(22-20(12)21(24)27-7-8-28-4)9-14(10-16(19)23)13-5-6-17(25-2)18(11-13)26-3/h5-6,11,14,22H,7-10H2,1-4H3/t14-/m1/s1