methyl 4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzoate Openeye Name: methyl 4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzoate CAS Name: 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoate Traditional Name: 4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid methyl ester Formula: C13H10N2O4S MolecularWeight: 290.2945

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C13H10N2O4S/c1-19-12(18)8-4-2-7(3-5-8)6-9-10(16)14-13(20)15-11(9)17/h2-6H,1H3,(H2,14,15,16,17,20)