methyl 5-oxidanyl-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-6-carboxylate

Systemtic Name: methyl 5-oxidanyl-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-6-carboxylate Openeye Name: methyl 5-hydroxy-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-6-carboxylate CAS Name: 5-hydroxy-3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylthio]methyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-6-carboxylate Traditional Name: 5-hydroxy-3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylthio]methyl]-1H-indole-6-carboxylic acid methyl ester Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C2C(=C1)NC=C2CSCCC3CC(=CCN3)C4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1=C(C=C2C(=C1)NC=C2CSCCC3CC(=CCN3)C4=CC=CC=C4)O

InChI

InChI=1S/C24H26N2O3S/c1-29-24(28)21-12-22-20(13-23(21)27)18(14-26-22)15-30-10-8-19-11-17(7-9-25-19)16-5-3-2-4-6-16/h2-7,12-14,19,25-27H,8-11,15H2,1H3