ethyl 1-[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-2-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-[2-[(3-carbethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]-6-keto-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC)SC

InChI

InChI=1S/C22H27N3O6S2/c1-5-30-20(28)14-10-23-22(32-4)25(19(14)27)11-16(26)24-18-17(21(29)31-6-2)13-8-7-12(3)9-15(13)33-18/h10,12H,5-9,11H2,1-4H3,(H,24,26)