3-[[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 3-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C24H20N2O3S2 MolecularWeight: 448.5572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC=CC(=C4)C(=O)O)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC=CC(=C4)C(=O)O)CC=C

InChI

InChI=1S/C24H20N2O3S2/c1-3-11-26-22(27)20-19(17-9-7-15(2)8-10-17)14-30-21(20)25-24(26)31-13-16-5-4-6-18(12-16)23(28)29/h3-10,12,14H,1,11,13H2,2H3,(H,28,29)