methyl 3-[3-[(3-methoxy-4-oxidanyl-phenyl)methyl]-4-oxidanylidene-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate

Systemtic Name: methyl 3-[3-[(3-methoxy-4-oxidanyl-phenyl)methyl]-4-oxidanylidene-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate Openeye Name: methyl 3-[3-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-oxo-thiazolidin-2-yl]-1H-indole-6-carboxylate CAS Name: 3-[3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-oxo-2-thiazolidinyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate Traditional Name: 3-(4-keto-3-vanillyl-thiazolidin-2-yl)-1H-indole-6-carboxylic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2C(SCC2=O)C3=CNC4=C3C=CC(=C4)C(=O)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2C(SCC2=O)C3=CNC4=C3C=CC(=C4)C(=O)OC)O

InChI

InChI=1S/C21H20N2O5S/c1-27-18-7-12(3-6-17(18)24)10-23-19(25)11-29-20(23)15-9-22-16-8-13(21(26)28-2)4-5-14(15)16/h3-9,20,22,24H,10-11H2,1-2H3