(3-methylcyclohexyl) 2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: (3-methylcyclohexyl) 2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: (3-methylcyclohexyl) 2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid (3-methylcyclohexyl) ester IUPAC Name: (3-methylcyclohexyl) 2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid (3-methylcyclohexyl) ester Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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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)N2

Isomeric SMILES

CC1CCCC(C1)OC(=O)CSC2=NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C22H24N2O3S2/c1-13-7-6-10-16(11-13)27-17(25)12-28-22-23-20(26)19-18(14(2)29-21(19)24-22)15-8-4-3-5-9-15/h3-5,8-9,13,16H,6-7,10-12H2,1-2H3,(H,23,24,26)