cyclohexyl 2-(6-methyl-4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: cyclohexyl 2-(6-methyl-4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: cyclohexyl 2-(6-methyl-4-oxo-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(6-methyl-4-oxo-3,5-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-keto-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid cyclohexyl ester Formula: C27H26N2O3S2 MolecularWeight: 490.63694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)OC4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)OC4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N2O3S2/c1-18-23(19-11-5-2-6-12-19)24-25(34-18)28-27(29(26(24)31)20-13-7-3-8-14-20)33-17-22(30)32-21-15-9-4-10-16-21/h2-3,5-8,11-14,21H,4,9-10,15-17H2,1H3