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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC=CC(=C4)C(=O)OC)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC=CC(=C4)C(=O)OC)CC=C

InChI

InChI=1S/C25H22N2O3S2/c1-4-12-27-23(28)21-20(18-10-8-16(2)9-11-18)15-31-22(21)26-25(27)32-14-17-6-5-7-19(13-17)24(29)30-3/h4-11,13,15H,1,12,14H2,2-3H3