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

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-4-(dimethylaminomethyl)-5-oxidanyl-2-(pyridin-2-ylsulfinylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-4-(dimethylaminomethyl)-5-hydroxy-2-(2-pyridylsulfinylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-4-(dimethylaminomethyl)-5-hydroxy-2-(2-pyridinylsulfinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-4-(dimethylaminomethyl)-5-hydroxy-2-(pyridin-2-ylsulfinylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-4-(dimethylaminomethyl)-5-hydroxy-2-(2-pyridylsulfinylmethyl)indole-3-carboxylic acid ethyl ester Formula: C23H26BrN3O4S MolecularWeight: 520.43924

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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)C3CC3)CS(=O)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3CC3)CS(=O)C4=CC=CC=N4

InChI

InChI=1S/C23H26BrN3O4S/c1-4-31-23(29)21-18(13-32(30)19-7-5-6-10-25-19)27(14-8-9-14)17-11-16(24)22(28)15(20(17)21)12-26(2)3/h5-7,10-11,14,28H,4,8-9,12-13H2,1-3H3