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

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-(4-methylphenyl)-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-2-(phenylsulfanylmethyl)-1-(p-tolyl)indole-3-carboxylate CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-(4-methylphenyl)-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-(4-methylphenyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-2-[(phenylthio)methyl]-1-(p-tolyl)indole-3-carboxylic acid ethyl ester Formula: C28H29BrN2O3S MolecularWeight: 553.51046

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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=C(C=C3)C)CSC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H29BrN2O3S/c1-5-34-28(33)26-24(17-35-20-9-7-6-8-10-20)31(19-13-11-18(2)12-14-19)23-15-22(29)27(32)21(25(23)26)16-30(3)4/h6-15,32H,5,16-17H2,1-4H3