ethyl 6-(4-chlorophenyl)-4-oxidanylidene-1H-isothiochromene-1-carboxylate

Systemtic Name: ethyl 6-(4-chlorophenyl)-4-oxidanylidene-1H-isothiochromene-1-carboxylate Openeye Name: ethyl 6-(4-chlorophenyl)-4-oxo-isothiochromane-1-carboxylate CAS Name: 6-(4-chlorophenyl)-4-oxo-1H-2-benzothiopyran-1-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-chlorophenyl)-4-oxo-1H-isothiochromene-1-carboxylate Traditional Name: 6-(4-chlorophenyl)-4-keto-isothiochroman-1-carboxylic acid ethyl ester Formula: C18H15ClO3S MolecularWeight: 346.8279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2=C(C=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)CS1

Isomeric SMILES

CCOC(=O)C1C2=C(C=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)CS1

InChI

InChI=1S/C18H15ClO3S/c1-2-22-18(21)17-14-8-5-12(9-15(14)16(20)10-23-17)11-3-6-13(19)7-4-11/h3-9,17H,2,10H2,1H3