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

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-2-(pyridin-2-ylsulfinylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(2-pyridylsulfinylmethyl)indole-3-carboxylate CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(2-pyridinylsulfinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(pyridin-2-ylsulfinylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(2-pyridylsulfinylmethyl)indole-3-carboxylic acid ethyl ester Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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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)C)CS(=O)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CS(=O)C3=CC=CC=N3

InChI

InChI=1S/C21H24BrN3O4S/c1-5-29-21(27)19-16(12-30(28)17-8-6-7-9-23-17)25(4)15-10-14(22)20(26)13(18(15)19)11-24(2)3/h6-10,26H,5,11-12H2,1-4H3