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

Systemtic Name: propyl 2-[[4-oxidanylidene-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: propyl 2-[[5-(4-isopropylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[4-oxo-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid propyl ester IUPAC Name: propyl 2-[[4-oxo-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[(4-keto-5-p-cumenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid propyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C(C)C)C(=O)N1

Isomeric SMILES

CCCOC(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C(C)C)C(=O)N1

InChI

InChI=1S/C20H22N2O3S2/c1-4-9-25-16(23)11-27-20-21-18(24)17-15(10-26-19(17)22-20)14-7-5-13(6-8-14)12(2)3/h5-8,10,12H,4,9,11H2,1-3H3,(H,21,22,24)