ethyl 4-[2-bromanyl-3-[(4-chlorophenyl)methyl]-4-methylsulfanyl-indol-1-yl]butanoate

Systemtic Name: ethyl 4-[2-bromanyl-3-[(4-chlorophenyl)methyl]-4-methylsulfanyl-indol-1-yl]butanoate Openeye Name: ethyl 4-[2-bromo-3-[(4-chlorophenyl)methyl]-4-methylsulfanyl-indol-1-yl]butanoate CAS Name: 4-[2-bromo-3-[(4-chlorophenyl)methyl]-4-(methylthio)-1-indolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-bromo-3-[(4-chlorophenyl)methyl]-4-methylsulfanylindol-1-yl]butanoate Traditional Name: 4-[2-bromo-3-(4-chlorobenzyl)-4-(methylthio)indol-1-yl]butyric acid ethyl ester Formula: C22H23BrClNO2S MolecularWeight: 480.84552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C2=C(C(=CC=C2)SC)C(=C1Br)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CCCN1C2=C(C(=CC=C2)SC)C(=C1Br)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23BrClNO2S/c1-3-27-20(26)8-5-13-25-18-6-4-7-19(28-2)21(18)17(22(25)23)14-15-9-11-16(24)12-10-15/h4,6-7,9-12H,3,5,8,13-14H2,1-2H3