ethyl 3-phenyl-1H-isothiochromene-4-carboxylate

Systemtic Name: ethyl 3-phenyl-1H-isothiochromene-4-carboxylate Openeye Name: ethyl 3-phenyl-1H-isothiochromene-4-carboxylate CAS Name: 3-phenyl-1H-2-benzothiopyran-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-phenyl-1H-isothiochromene-4-carboxylate Traditional Name: 3-phenyl-1H-isothiochromene-4-carboxylic acid ethyl ester Formula: C18H16O2S MolecularWeight: 296.38344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SCC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SCC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C18H16O2S/c1-2-20-18(19)16-15-11-7-6-10-14(15)12-21-17(16)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3