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

Systemtic Name: ethyl 1-[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H22N4O4S2 MolecularWeight: 482.57518

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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)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=C(C(=C(S2)C)C)C#N)SCC3=CC=CC=C3

InChI

InChI=1S/C23H22N4O4S2/c1-4-31-22(30)18-11-25-23(32-13-16-8-6-5-7-9-16)27(21(18)29)12-19(28)26-20-17(10-24)14(2)15(3)33-20/h5-9,11H,4,12-13H2,1-3H3,(H,26,28)