phenethyl 2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)OCCC3=CC=CC=C3)SC=C2C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)OCCC3=CC=CC=C3)SC=C2C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3S2/c1-2-14-27-24(29)22-20(19-11-7-4-8-12-19)16-31-23(22)26-25(27)32-17-21(28)30-15-13-18-9-5-3-6-10-18/h2-12,16H,1,13-15,17H2