methyl 7-(3-chloranyl-4-fluoranyl-phenyl)-9-methylsulfanyl-6H-benzo[c]thiochromene-10-carboxylate

Systemtic Name: methyl 7-(3-chloranyl-4-fluoranyl-phenyl)-9-methylsulfanyl-6H-benzo[c]thiochromene-10-carboxylate Openeye Name: methyl 7-(3-chloro-4-fluoro-phenyl)-9-methylsulfanyl-6H-benzo[c]thiochromene-10-carboxylate CAS Name: 7-(3-chloro-4-fluorophenyl)-9-(methylthio)-6H-benzo[c]thiochromene-10-carboxylic acid methyl ester IUPAC Name: methyl 7-(3-chloro-4-fluorophenyl)-9-methylsulfanyl-6H-benzo[c]thiochromene-10-carboxylate Traditional Name: 7-(3-chloro-4-fluoro-phenyl)-9-(methylthio)-6H-benzo[c]thiochromene-10-carboxylic acid methyl ester Formula: C22H16ClFO2S2 MolecularWeight: 430.942643

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C2=C1C3=CC=CC=C3SC2)C4=CC(=C(C=C4)F)Cl)SC

Isomeric SMILES

COC(=O)C1=C(C=C(C2=C1C3=CC=CC=C3SC2)C4=CC(=C(C=C4)F)Cl)SC

InChI

InChI=1S/C22H16ClFO2S2/c1-26-22(25)21-19(27-2)10-14(12-7-8-17(24)16(23)9-12)15-11-28-18-6-4-3-5-13(18)20(15)21/h3-10H,11H2,1-2H3