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

Systemtic Name: (3-methylcyclohexyl) 2-(6-methyl-4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: (3-methylcyclohexyl) 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 (3-methylcyclohexyl) ester IUPAC Name: (3-methylcyclohexyl) 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 (3-methylcyclohexyl) ester Formula: C28H28N2O3S2 MolecularWeight: 504.66352

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC(=O)CSC2=NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

CC1CCCC(C1)OC(=O)CSC2=NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C28H28N2O3S2/c1-18-10-9-15-22(16-18)33-23(31)17-34-28-29-26-25(27(32)30(28)21-13-7-4-8-14-21)24(19(2)35-26)20-11-5-3-6-12-20/h3-8,11-14,18,22H,9-10,15-17H2,1-2H3