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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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