methyl 3-[[4-oxidanylidene-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[4-oxidanylidene-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[5-(4-isopropylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-oxo-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-oxo-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[(4-keto-5-p-cumenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C24H22N2O3S2 MolecularWeight: 450.57308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C24H22N2O3S2/c1-14(2)16-7-9-17(10-8-16)19-13-30-22-20(19)21(27)25-24(26-22)31-12-15-5-4-6-18(11-15)23(28)29-3/h4-11,13-14H,12H2,1-3H3,(H,25,26,27)