ethyl 6-bromanyl-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-4-(1-pyrrolidinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-4-(pyrrolidinomethyl)indole-3-carboxylic acid ethyl ester Formula: C24H27BrN2O3S MolecularWeight: 503.45178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCCC3)O)Br)C)CSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCCC3)O)Br)C)CSC4=CC=CC=C4

InChI

InChI=1S/C24H27BrN2O3S/c1-3-30-24(29)22-20(15-31-16-9-5-4-6-10-16)26(2)19-13-18(25)23(28)17(21(19)22)14-27-11-7-8-12-27/h4-6,9-10,13,28H,3,7-8,11-12,14-15H2,1-2H3