ethyl 5-methyl-2-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]methylideneamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]methylideneamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(2,4,6-trioxohexahydropyrimidin-5-yl)methyleneamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(2,4,6-triketohexahydropyrimidin-5-yl)methyleneamino]thiophene-3-carboxylic acid ethyl ester Formula: C13H13N3O5S MolecularWeight: 323.32442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C)N=CC2C(=O)NC(=O)NC2=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C)N=CC2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C13H13N3O5S/c1-3-21-12(19)7-4-6(2)22-11(7)14-5-8-9(17)15-13(20)16-10(8)18/h4-5,8H,3H2,1-2H3,(H2,15,16,17,18,20)