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

Systemtic Name: ethyl 4-[2-bromanyl-3-(4-chlorophenyl)-4-methylsulfanyl-indol-1-yl]butanoate Openeye Name: ethyl 4-[2-bromo-3-(4-chlorophenyl)-4-methylsulfanyl-indol-1-yl]butanoate CAS Name: 4-[2-bromo-3-(4-chlorophenyl)-4-(methylthio)-1-indolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-bromo-3-(4-chlorophenyl)-4-methylsulfanylindol-1-yl]butanoate Traditional Name: 4-[2-bromo-3-(4-chlorophenyl)-4-(methylthio)indol-1-yl]butyric acid ethyl ester Formula: C21H21BrClNO2S MolecularWeight: 466.81894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrClNO2S/c1-3-26-18(25)8-5-13-24-16-6-4-7-17(27-2)20(16)19(21(24)22)14-9-11-15(23)12-10-14/h4,6-7,9-12H,3,5,8,13H2,1-2H3