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

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-5-oxidanyl-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate hydrochloride Openeye Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate hydrochloride CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-phenyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate hydrochloride Traditional Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-phenyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester hydrochloride Formula: C27H28BrClN2O3S MolecularWeight: 575.94482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3=CC=CC=C3)CSC4=CC=CC=C4.Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3=CC=CC=C3)CSC4=CC=CC=C4.Cl

InChI

InChI=1S/C27H27BrN2O3S.ClH/c1-4-33-27(32)25-23(17-34-19-13-9-6-10-14-19)30(18-11-7-5-8-12-18)22-15-21(28)26(31)20(24(22)25)16-29(2)3;/h5-15,31H,4,16-17H2,1-3H3;1H