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

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate hydrochloride Openeye Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate hydrochloride CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate hydrochloride Traditional Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester hydrochloride Formula: C22H26BrClN2O3S MolecularWeight: 513.87544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CC=C3.Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CC=C3.Cl

InChI

InChI=1S/C22H25BrN2O3S.ClH/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3;/h6-11,26H,5,12-13H2,1-4H3;1H