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

Systemtic Name: ethyl 3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-6-carboxylate Openeye Name: ethyl 3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-6-carboxylate CAS Name: 3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylthio]methyl]-1H-indole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-6-carboxylate Traditional Name: 3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylthio]methyl]-1H-indole-6-carboxylic acid ethyl ester Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=CN2)CSCCC3CC(=CCN3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=CN2)CSCCC3CC(=CCN3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O2S/c1-2-29-25(28)20-8-9-23-21(16-27-24(23)15-20)17-30-13-11-22-14-19(10-12-26-22)18-6-4-3-5-7-18/h3-10,15-16,22,26-27H,2,11-14,17H2,1H3