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

Systemtic Name: ethyl 3-[[4-oxidanylidene-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H24N2O3S2 MolecularWeight: 464.59966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C(C)C)C(=O)N2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C(C)C)C(=O)N2

InChI

InChI=1S/C25H24N2O3S2/c1-4-30-24(29)19-7-5-6-16(12-19)13-32-25-26-22(28)21-20(14-31-23(21)27-25)18-10-8-17(9-11-18)15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H,26,27,28)