methyl 2-[2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C14H12N4O4S2 MolecularWeight: 364.39948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C14H12N4O4S2/c1-22-12(21)5-9-4-10(19)18-14(16-9)24-7-11(20)17-13-8(6-15)2-3-23-13/h2-4H,5,7H2,1H3,(H,17,20)(H,16,18,19)