ethyl (2E)-2-carbamimidoylimino-5-(1-oxidanylpyridin-4-ylidene)-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl (2E)-2-carbamimidoylimino-5-(1-oxidanylpyridin-4-ylidene)-1,3-thiazole-4-carboxylate Openeye Name: ethyl (2E)-2-carbamimidoylimino-5-(1-hydroxy-4-pyridylidene)thiazole-4-carboxylate CAS Name: (2E)-2-carbamimidoylimino-5-(1-hydroxy-4-pyridinylidene)-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl (2E)-2-carbamimidoylimino-5-(1-hydroxypyridin-4-ylidene)-1,3-thiazole-4-carboxylate Traditional Name: (2E)-2-amidinoimino-5-(1-hydroxy-4-pyridylidene)-3-thiazoline-4-carboxylic acid ethyl ester Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=NC(=N)N)SC1=C2C=CN(C=C2)O

Isomeric SMILES

CCOC(=O)C1=N/C(=N\C(=N)N)/SC1=C2C=CN(C=C2)O

InChI

InChI=1S/C12H13N5O3S/c1-2-20-10(18)8-9(7-3-5-17(19)6-4-7)21-12(15-8)16-11(13)14/h3-6,19H,2H2,1H3,(H3,13,14)/b16-12+