methyl 3-(4-chlorophenyl)sulfanyl-9-oxidanylidene-thioxanthene-1-carboxylate

Systemtic Name: methyl 3-(4-chlorophenyl)sulfanyl-9-oxidanylidene-thioxanthene-1-carboxylate Openeye Name: methyl 3-(4-chlorophenyl)sulfanyl-9-oxo-thioxanthene-1-carboxylate CAS Name: 3-[(4-chlorophenyl)thio]-9-oxo-1-thioxanthenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-chlorophenyl)sulfanyl-9-oxothioxanthene-1-carboxylate Traditional Name: 3-[(4-chlorophenyl)thio]-9-keto-thioxanthene-1-carboxylic acid methyl ester Formula: C21H13ClO3S2 MolecularWeight: 412.90912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)SC4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H13ClO3S2/c1-25-21(24)16-10-14(26-13-8-6-12(22)7-9-13)11-18-19(16)20(23)15-4-2-3-5-17(15)27-18/h2-11H,1H3