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

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-3-(phenylsulfanylmethyl)indole-2-carboxylate Openeye Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-3-(phenylsulfanylmethyl)indole-2-carboxylate CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-3-[(phenylthio)methyl]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-3-(phenylsulfanylmethyl)indole-2-carboxylate Traditional Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-3-[(phenylthio)methyl]indole-2-carboxylic acid ethyl ester Formula: C22H25BrN2O3S MolecularWeight: 477.4145

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C(=C(C=C2N1C)Br)O)CN(C)C)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C(=C(C=C2N1C)Br)O)CN(C)C)CSC3=CC=CC=C3

InChI

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