cyclohexyl 2-[[5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate

Systemtic Name: cyclohexyl 2-[[5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: cyclohexyl 2-[[4-oxo-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate CAS Name: 2-[[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: 2-[[4-keto-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propionic acid cyclohexyl ester Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SC(C)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SC(C)C(=O)OC4CCCCC4

InChI

InChI=1S/C22H24N2O3S2/c1-13-8-10-15(11-9-13)17-12-28-20-18(17)19(25)23-22(24-20)29-14(2)21(26)27-16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,23,24,25)