5-methoxy-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-6-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN2)CSCCC3CC(=CCN3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN2)CSCCC3CC(=CCN3)C4=CC=CC=C4)C(=O)O

InChI

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