3,3-dimethyl-9-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-4,9-dihydro-2H-xanthen-1-one

Systemtic Name: 3,3-dimethyl-9-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-4,9-dihydro-2H-xanthen-1-one Openeye Name: 3,3-dimethyl-9-[2-oxo-2-(2-thienyl)ethyl]-4,9-dihydro-2H-xanthen-1-one CAS Name: 3,3-dimethyl-9-(2-oxo-2-thiophen-2-ylethyl)-4,9-dihydro-2H-xanthen-1-one IUPAC Name: 3,3-dimethyl-9-(2-oxo-2-thiophen-2-ylethyl)-4,9-dihydro-2H-xanthen-1-one Traditional Name: 9-[2-keto-2-(2-thienyl)ethyl]-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-one Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=CC=CC=C3O2)CC(=O)C4=CC=CS4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=CC=CC=C3O2)CC(=O)C4=CC=CS4)C(=O)C1)C

InChI

InChI=1S/C21H20O3S/c1-21(2)11-16(23)20-14(10-15(22)19-8-5-9-25-19)13-6-3-4-7-17(13)24-18(20)12-21/h3-9,14H,10-12H2,1-2H3