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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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