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

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-2-(thiophen-3-ylsulfanylmethyl)indole-3-carboxylate hydrochloride Openeye Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(3-thienylsulfanylmethyl)indole-3-carboxylate hydrochloride CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(3-thiophenylthio)methyl]-3-indolecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(thiophen-3-ylsulfanylmethyl)indole-3-carboxylate hydrochloride Traditional Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(3-thienylthio)methyl]indole-3-carboxylic acid ethyl ester hydrochloride Formula: C20H24BrClN2O3S2 MolecularWeight: 519.90316

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=CSC=C3.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3S2.ClH/c1-5-26-20(25)18-16(11-28-12-6-7-27-10-12)23(4)15-8-14(21)19(24)13(17(15)18)9-22(2)3;/h6-8,10,24H,5,9,11H2,1-4H3;1H