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

Systemtic Name: propan-2-yl 4-[[4-oxidanylidene-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[[5-(4-isopropylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-oxo-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[4-oxo-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-5-p-cumenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid isopropyl ester Formula: C26H26N2O3S2 MolecularWeight: 478.62624

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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=C(C=C4)C(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O3S2/c1-15(2)18-9-11-19(12-10-18)21-14-32-24-22(21)23(29)27-26(28-24)33-13-17-5-7-20(8-6-17)25(30)31-16(3)4/h5-12,14-16H,13H2,1-4H3,(H,27,28,29)