methyl 3-(chloromethyl)-4-oxidanylidene-2-phenyl-thiochromene-8-carboxylate

Systemtic Name: methyl 3-(chloromethyl)-4-oxidanylidene-2-phenyl-thiochromene-8-carboxylate Openeye Name: methyl 3-(chloromethyl)-4-oxo-2-phenyl-thiochromene-8-carboxylate CAS Name: 3-(chloromethyl)-4-oxo-2-phenyl-1-benzothiopyran-8-carboxylic acid methyl ester IUPAC Name: methyl 3-(chloromethyl)-4-oxo-2-phenylthiochromene-8-carboxylate Traditional Name: 3-(chloromethyl)-4-keto-2-phenyl-thiochromene-8-carboxylic acid methyl ester Formula: C18H13ClO3S MolecularWeight: 344.81202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC2=C1SC(=C(C2=O)CCl)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC2=C1SC(=C(C2=O)CCl)C3=CC=CC=C3

InChI

InChI=1S/C18H13ClO3S/c1-22-18(21)13-9-5-8-12-15(20)14(10-19)16(23-17(12)13)11-6-3-2-4-7-11/h2-9H,10H2,1H3