ethyl 1-[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]-2-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]-6-keto-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18N4O4S2 MolecularWeight: 406.47922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=C(C(=C(S2)C)C)C#N)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=C(C(=C(S2)C)C)C#N)SC

InChI

InChI=1S/C17H18N4O4S2/c1-5-25-16(24)12-7-19-17(26-4)21(15(12)23)8-13(22)20-14-11(6-18)9(2)10(3)27-14/h7H,5,8H2,1-4H3,(H,20,22)