methyl 7-chloranyl-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-4-carboxylate

Systemtic Name: methyl 7-chloranyl-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-4-carboxylate Openeye Name: methyl 7-chloro-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-4-carboxylate CAS Name: 7-chloro-3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylthio]methyl]-1H-indole-4-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-4-carboxylate Traditional Name: 7-chloro-3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylthio]methyl]-1H-indole-4-carboxylic acid methyl ester Formula: C24H25ClN2O2S MolecularWeight: 440.9855

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CNC2=C(C=C1)Cl)CSCCC3CC(=CCN3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C2C(=CNC2=C(C=C1)Cl)CSCCC3CC(=CCN3)C4=CC=CC=C4

InChI

InChI=1S/C24H25ClN2O2S/c1-29-24(28)20-7-8-21(25)23-22(20)18(14-27-23)15-30-12-10-19-13-17(9-11-26-19)16-5-3-2-4-6-16/h2-9,14,19,26-27H,10-13,15H2,1H3