ethyl 3-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-(o-tolylmethylsulfanyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-5-methyl-2-[(2-methylphenyl)methylthio]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-4-keto-5-methyl-2-[(2-methylbenzyl)thio]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C26H30N2O3S2 MolecularWeight: 482.658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CCCCC3)SCC4=CC=CC=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CCCCC3)SCC4=CC=CC=C4C)C

InChI

InChI=1S/C26H30N2O3S2/c1-4-31-25(30)22-18(3)21-23(33-22)27-26(32-16-20-13-9-8-10-17(20)2)28(24(21)29)15-14-19-11-6-5-7-12-19/h8-11,13H,4-7,12,14-16H2,1-3H3