ethyl 6-bromanyl-4-(dimethylaminomethyl)-2-[(4-fluorophenyl)sulfinylmethyl]-1-methyl-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-2-[(4-fluorophenyl)sulfinylmethyl]-1-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-4-(dimethylaminomethyl)-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-4-(dimethylaminomethyl)-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-1-methylindole-3-carboxylate Traditional Name: 6-bromo-4-(dimethylaminomethyl)-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C22H24BrFN2O4S MolecularWeight: 511.404363

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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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrFN2O4S/c1-5-30-22(28)20-18(12-31(29)14-8-6-13(24)7-9-14)26(4)17-10-16(23)21(27)15(19(17)20)11-25(2)3/h6-10,27H,5,11-12H2,1-4H3