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

Systemtic Name: ethyl 6-bromanyl-1-(4-chlorophenyl)-4-(dimethylaminomethyl)-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-(4-chlorophenyl)-4-(dimethylaminomethyl)-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-(4-chlorophenyl)-4-(dimethylaminomethyl)-5-hydroxy-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-(4-chlorophenyl)-4-(dimethylaminomethyl)-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-(4-chlorophenyl)-4-(dimethylaminomethyl)-5-hydroxy-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C27H26BrClN2O3S MolecularWeight: 573.92894

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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)Cl)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)Cl)CSC4=CC=CC=C4

InChI

InChI=1S/C27H26BrClN2O3S/c1-4-34-27(33)25-23(16-35-19-8-6-5-7-9-19)31(18-12-10-17(29)11-13-18)22-14-21(28)26(32)20(24(22)25)15-30(2)3/h5-14,32H,4,15-16H2,1-3H3