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

Systemtic Name: ethyl 5-oxidanyl-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3S/c1-2-30-25(29)22-13-23-21(14-24(22)28)19(15-27-23)16-31-11-9-20-12-18(8-10-26-20)17-6-4-3-5-7-17/h3-8,13-15,20,26-28H,2,9-12,16H2,1H3