ethyl 2-[(5-methyl-4-piperidin-1-yl-pyridin-2-yl)methylsulfanyl]-1H-indole-5-carboxylate

Systemtic Name: ethyl 2-[(5-methyl-4-piperidin-1-yl-pyridin-2-yl)methylsulfanyl]-1H-indole-5-carboxylate Openeye Name: ethyl 2-[[5-methyl-4-(1-piperidyl)-2-pyridyl]methylsulfanyl]-1H-indole-5-carboxylate CAS Name: 2-[[5-methyl-4-(1-piperidinyl)-2-pyridinyl]methylthio]-1H-indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-methyl-4-piperidin-1-ylpyridin-2-yl)methylsulfanyl]-1H-indole-5-carboxylate Traditional Name: 2-[(5-methyl-4-piperidino-2-pyridyl)methylthio]-1H-indole-5-carboxylic acid ethyl ester Formula: C23H27N3O2S MolecularWeight: 409.54438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=C2)SCC3=NC=C(C(=C3)N4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=C2)SCC3=NC=C(C(=C3)N4CCCCC4)C

InChI

InChI=1S/C23H27N3O2S/c1-3-28-23(27)17-7-8-20-18(11-17)12-22(25-20)29-15-19-13-21(16(2)14-24-19)26-9-5-4-6-10-26/h7-8,11-14,25H,3-6,9-10,15H2,1-2H3