methyl 4-bromanyl-3-(4-chlorophenyl)sulfanyl-1-(4-ethoxy-4-oxidanylidene-butyl)-6-fluoranyl-indole-2-carboxylate

Systemtic Name: methyl 4-bromanyl-3-(4-chlorophenyl)sulfanyl-1-(4-ethoxy-4-oxidanylidene-butyl)-6-fluoranyl-indole-2-carboxylate Openeye Name: methyl 4-bromo-3-(4-chlorophenyl)sulfanyl-1-(4-ethoxy-4-oxo-butyl)-6-fluoro-indole-2-carboxylate CAS Name: 4-bromo-3-[(4-chlorophenyl)thio]-1-(4-ethoxy-4-oxobutyl)-6-fluoro-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-3-(4-chlorophenyl)sulfanyl-1-(4-ethoxy-4-oxobutyl)-6-fluoroindole-2-carboxylate Traditional Name: 4-bromo-3-[(4-chlorophenyl)thio]-1-(4-ethoxy-4-keto-butyl)-6-fluoro-indole-2-carboxylic acid methyl ester Formula: C22H20BrClFNO4S MolecularWeight: 528.818903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C2=CC(=CC(=C2C(=C1C(=O)OC)SC3=CC=C(C=C3)Cl)Br)F

Isomeric SMILES

CCOC(=O)CCCN1C2=CC(=CC(=C2C(=C1C(=O)OC)SC3=CC=C(C=C3)Cl)Br)F

InChI

InChI=1S/C22H20BrClFNO4S/c1-3-30-18(27)5-4-10-26-17-12-14(25)11-16(23)19(17)21(20(26)22(28)29-2)31-15-8-6-13(24)7-9-15/h6-9,11-12H,3-5,10H2,1-2H3