ethyl 5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C14H12N4O4S2 MolecularWeight: 364.39948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC=C2C(=O)NC(=S)NC2=O)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC=C2C(=O)NC(=S)NC2=O)C#N)C

InChI

InChI=1S/C14H12N4O4S2/c1-3-22-13(21)9-6(2)7(4-15)12(24-9)16-5-8-10(19)17-14(23)18-11(8)20/h5,16H,3H2,1-2H3,(H2,17,18,19,20,23)