ethyl 2-[(4-methylphenyl)sulfanylmethyl]-5-oxidanyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate

Systemtic Name: ethyl 2-[(4-methylphenyl)sulfanylmethyl]-5-oxidanyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-(p-tolylsulfanylmethyl)-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate CAS Name: 5-hydroxy-2-[[(4-methylphenyl)thio]methyl]-4-(1-pyrrolidinylmethyl)-1H-indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate Traditional Name: 5-hydroxy-2-[(p-tolylthio)methyl]-4-(pyrrolidinomethyl)-1H-indole-3-carboxylic acid ethyl ester Formula: C24H28N2O3S MolecularWeight: 424.55572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C1C(=C(C=C2)O)CN3CCCC3)CSC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C1C(=C(C=C2)O)CN3CCCC3)CSC4=CC=C(C=C4)C

InChI

InChI=1S/C24H28N2O3S/c1-3-29-24(28)23-20(15-30-17-8-6-16(2)7-9-17)25-19-10-11-21(27)18(22(19)23)14-26-12-4-5-13-26/h6-11,25,27H,3-5,12-15H2,1-2H3