ethyl 2-methyl-3-phenyl-1H-isothiochromen-2-ium-4-carboxylate

Systemtic Name: ethyl 2-methyl-3-phenyl-1H-isothiochromen-2-ium-4-carboxylate Openeye Name: ethyl 2-methyl-3-phenyl-1H-isothiochromen-2-ium-4-carboxylate CAS Name: 2-methyl-3-phenyl-1H-2-benzothiopyran-2-ium-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-phenyl-1H-isothiochromen-2-ium-4-carboxylate Traditional Name: 2-methyl-3-phenyl-1H-isothiochromen-2-ium-4-carboxylic acid ethyl ester Formula: C19H19O2S+ MolecularWeight: 311.41796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([S+](CC2=CC=CC=C21)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C([S+](CC2=CC=CC=C21)C)C3=CC=CC=C3

InChI

InChI=1S/C19H19O2S/c1-3-21-19(20)17-16-12-8-7-11-15(16)13-22(2)18(17)14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3/q+1