dimethyl 2-[3-(phenylcarbonyl)-1H-isothiochromen-1-yl]propanedioate

Systemtic Name: dimethyl 2-[3-(phenylcarbonyl)-1H-isothiochromen-1-yl]propanedioate Openeye Name: dimethyl 2-(3-benzoyl-1H-isothiochromen-1-yl)propanedioate CAS Name: 2-(3-benzoyl-1H-2-benzothiopyran-1-yl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(3-benzoyl-1H-isothiochromen-1-yl)propanedioate Traditional Name: 2-(3-benzoyl-1H-isothiochromen-1-yl)malonic acid dimethyl ester Formula: C21H18O5S MolecularWeight: 382.42962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1C2=CC=CC=C2C=C(S1)C(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C(C1C2=CC=CC=C2C=C(S1)C(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H18O5S/c1-25-20(23)17(21(24)26-2)19-15-11-7-6-10-14(15)12-16(27-19)18(22)13-8-4-3-5-9-13/h3-12,17,19H,1-2H3