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

Systemtic Name: (3-methylcyclohexyl) 2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: (3-methylcyclohexyl) 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 (3-methylcyclohexyl) ester IUPAC Name: (3-methylcyclohexyl) 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 (3-methylcyclohexyl) ester Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3S2/c1-3-12-26-23(28)21-19(17-9-5-4-6-10-17)14-30-22(21)25-24(26)31-15-20(27)29-18-11-7-8-16(2)13-18/h3-6,9-10,14,16,18H,1,7-8,11-13,15H2,2H3