ethyl 3-[(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: ethyl 3-[(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 3-[(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid ethyl ester Formula: C25H22N2O3S2 MolecularWeight: 462.58378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C

InChI

InChI=1S/C25H22N2O3S2/c1-3-13-27-23(28)21-20(18-10-6-5-7-11-18)16-31-22(21)26-25(27)32-15-17-9-8-12-19(14-17)24(29)30-4-2/h3,5-12,14,16H,1,4,13,15H2,2H3