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

Systemtic Name: diethyl 5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C16H17N3O6S2 MolecularWeight: 411.45268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C16H17N3O6S2/c1-4-24-14(22)9-7(3)10(15(23)25-5-2)27-13(9)17-6-8-11(20)18-16(26)19-12(8)21/h6,17H,4-5H2,1-3H3,(H2,18,19,20,21,26)