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

Systemtic Name: methyl 2-[1-[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]ethylamino]benzoate Openeye Name: methyl 2-[1-(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)ethylamino]benzoate CAS Name: 2-[1-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)ethylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[1-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)ethylamino]benzoate Traditional Name: 2-[1-(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)ethylamino]benzoic acid methyl ester Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)NC(=S)NC1=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(=C1C(=O)NC(=S)NC1=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C14H13N3O4S/c1-7(10-11(18)16-14(22)17-12(10)19)15-9-6-4-3-5-8(9)13(20)21-2/h3-6,15H,1-2H3,(H2,16,17,18,19,22)