3-[3-(phenylcarbonyl)-1H-isothiochromen-1-yl]pentane-2,4-dione

Systemtic Name: 3-[3-(phenylcarbonyl)-1H-isothiochromen-1-yl]pentane-2,4-dione Openeye Name: 3-(3-benzoyl-1H-isothiochromen-1-yl)pentane-2,4-dione CAS Name: 3-(3-benzoyl-1H-2-benzothiopyran-1-yl)pentane-2,4-dione IUPAC Name: 3-(3-benzoyl-1H-isothiochromen-1-yl)pentane-2,4-dione Traditional Name: 3-(3-benzoyl-1H-isothiochromen-1-yl)pentane-2,4-dione Formula: C21H18O3S MolecularWeight: 350.43082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18O3S/c1-13(22)19(14(2)23)21-17-11-7-6-10-16(17)12-18(25-21)20(24)15-8-4-3-5-9-15/h3-12,19,21H,1-2H3