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

Systemtic Name: propyl 4-[[4-oxidanylidene-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C26H26N2O3S2 MolecularWeight: 478.62624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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