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

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-2-[(4-fluorophenyl)methylsulfinylmethyl]-1-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-4-(dimethylaminomethyl)-2-[(4-fluorophenyl)methylsulfinylmethyl]-5-hydroxy-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-4-(dimethylaminomethyl)-2-[(4-fluorophenyl)methylsulfinylmethyl]-5-hydroxy-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-2-[(4-fluorophenyl)methylsulfinylmethyl]-5-hydroxy-1-methylindole-3-carboxylate Traditional Name: 6-bromo-4-(dimethylaminomethyl)-2-[(4-fluorobenzyl)sulfinylmethyl]-5-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C23H26BrFN2O4S MolecularWeight: 525.430943

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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)CC3=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)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H26BrFN2O4S/c1-5-31-23(29)21-19(13-32(30)12-14-6-8-15(25)9-7-14)27(4)18-10-17(24)22(28)16(20(18)21)11-26(2)3/h6-10,28H,5,11-13H2,1-4H3