ethyl 2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoate

Systemtic Name: ethyl 2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoate Openeye Name: ethyl 2-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoate CAS Name: 2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoate Traditional Name: 2-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]propionic acid ethyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)N1CC=C

Isomeric SMILES

CCOC(=O)C(C)SC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)N1CC=C

InChI

InChI=1S/C21H22N2O3S2/c1-5-11-23-19(24)17-16(15-9-7-13(3)8-10-15)12-27-18(17)22-21(23)28-14(4)20(25)26-6-2/h5,7-10,12,14H,1,6,11H2,2-4H3