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

Systemtic Name: ethyl 2-[(4-methylphenyl)sulfanylmethyl]-4-(morpholin-4-ylmethyl)-5-oxidanyl-1H-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-4-(morpholinomethyl)-2-(p-tolylsulfanylmethyl)-1H-indole-3-carboxylate CAS Name: 5-hydroxy-2-[[(4-methylphenyl)thio]methyl]-4-(4-morpholinylmethyl)-1H-indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-4-(morpholin-4-ylmethyl)-1H-indole-3-carboxylate Traditional Name: 5-hydroxy-4-(morpholinomethyl)-2-[(p-tolylthio)methyl]-1H-indole-3-carboxylic acid ethyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C1C(=C(C=C2)O)CN3CCOCC3)CSC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C1C(=C(C=C2)O)CN3CCOCC3)CSC4=CC=C(C=C4)C

InChI

InChI=1S/C24H28N2O4S/c1-3-30-24(28)23-20(15-31-17-6-4-16(2)5-7-17)25-19-8-9-21(27)18(22(19)23)14-26-10-12-29-13-11-26/h4-9,25,27H,3,10-15H2,1-2H3