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

Systemtic Name: (3-methylcyclohexyl) 2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoate Openeye Name: (3-methylcyclohexyl) 2-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]acetic acid (3-methylcyclohexyl) ester IUPAC Name: (3-methylcyclohexyl) 2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid (3-methylcyclohexyl) ester Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC(=O)CSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C)C(=O)N2CC=C

Isomeric SMILES

CC1CCCC(C1)OC(=O)CSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C)C(=O)N2CC=C

InChI

InChI=1S/C25H28N2O3S2/c1-4-12-27-24(29)22-20(18-10-8-16(2)9-11-18)14-31-23(22)26-25(27)32-15-21(28)30-19-7-5-6-17(3)13-19/h4,8-11,14,17,19H,1,5-7,12-13,15H2,2-3H3