ethyl 4-[2-(3-methyl-2-pyridin-3-yl-indol-1-yl)ethylsulfanyl]benzoate

Systemtic Name: ethyl 4-[2-(3-methyl-2-pyridin-3-yl-indol-1-yl)ethylsulfanyl]benzoate Openeye Name: ethyl 4-[2-[3-methyl-2-(3-pyridyl)indol-1-yl]ethylsulfanyl]benzoate CAS Name: 4-[2-[3-methyl-2-(3-pyridinyl)-1-indolyl]ethylthio]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-methyl-2-pyridin-3-ylindol-1-yl)ethylsulfanyl]benzoate Traditional Name: 4-[2-[3-methyl-2-(3-pyridyl)indol-1-yl]ethylthio]benzoic acid ethyl ester Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)SCCN2C3=CC=CC=C3C(=C2C4=CN=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)SCCN2C3=CC=CC=C3C(=C2C4=CN=CC=C4)C

InChI

InChI=1S/C25H24N2O2S/c1-3-29-25(28)19-10-12-21(13-11-19)30-16-15-27-23-9-5-4-8-22(23)18(2)24(27)20-7-6-14-26-17-20/h4-14,17H,3,15-16H2,1-2H3