ethyl 2-[(4-pyrrolidin-1-ylpyridin-2-yl)methylsulfanyl]-1H-indole-5-carboxylate

Systemtic Name: ethyl 2-[(4-pyrrolidin-1-ylpyridin-2-yl)methylsulfanyl]-1H-indole-5-carboxylate Openeye Name: ethyl 2-[(4-pyrrolidin-1-yl-2-pyridyl)methylsulfanyl]-1H-indole-5-carboxylate CAS Name: 2-[[4-(1-pyrrolidinyl)-2-pyridinyl]methylthio]-1H-indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-pyrrolidin-1-ylpyridin-2-yl)methylsulfanyl]-1H-indole-5-carboxylate Traditional Name: 2-[(4-pyrrolidino-2-pyridyl)methylthio]-1H-indole-5-carboxylic acid ethyl ester Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=C2)SCC3=NC=CC(=C3)N4CCCC4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=C2)SCC3=NC=CC(=C3)N4CCCC4

InChI

InChI=1S/C21H23N3O2S/c1-2-26-21(25)15-5-6-19-16(11-15)12-20(23-19)27-14-17-13-18(7-8-22-17)24-9-3-4-10-24/h5-8,11-13,23H,2-4,9-10,14H2,1H3