diethyl 2-[(1-ethoxycarbonyl-9-oxidanylidene-thioxanthen-3-yl)methyl]propanedioate

Systemtic Name: diethyl 2-[(1-ethoxycarbonyl-9-oxidanylidene-thioxanthen-3-yl)methyl]propanedioate Openeye Name: diethyl 2-[(1-ethoxycarbonyl-9-oxo-thioxanthen-3-yl)methyl]propanedioate CAS Name: 2-[(1-ethoxycarbonyl-9-oxo-3-thioxanthenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1-ethoxycarbonyl-9-oxothioxanthen-3-yl)methyl]propanedioate Traditional Name: 2-[(1-carbethoxy-9-keto-thioxanthen-3-yl)methyl]malonic acid diethyl ester Formula: C24H24O7S MolecularWeight: 456.50816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)CC(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)CC(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C24H24O7S/c1-4-29-22(26)16-11-14(12-17(23(27)30-5-2)24(28)31-6-3)13-19-20(16)21(25)15-9-7-8-10-18(15)32-19/h7-11,13,17H,4-6,12H2,1-3H3