ethyl 4-azanyl-1-oxidanylidene-3-[2-(pyridin-2-ylmethylsulfanyl)ethylamino]-1,2-thiazole-5-carboxylate

Systemtic Name: ethyl 4-azanyl-1-oxidanylidene-3-[2-(pyridin-2-ylmethylsulfanyl)ethylamino]-1,2-thiazole-5-carboxylate Openeye Name: ethyl 4-amino-1-oxo-3-[2-(2-pyridylmethylsulfanyl)ethylamino]isothiazole-5-carboxylate CAS Name: 4-amino-1-oxo-3-[2-(2-pyridinylmethylthio)ethylamino]-5-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-1-oxo-3-[2-(pyridin-2-ylmethylsulfanyl)ethylamino]-1,2-thiazole-5-carboxylate Traditional Name: 4-amino-1-keto-3-[2-(2-pyridylmethylthio)ethylamino]isothiazole-5-carboxylic acid ethyl ester Formula: C14H18N4O3S2 MolecularWeight: 354.44772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NS1=O)NCCSCC2=CC=CC=N2)N

Isomeric SMILES

CCOC(=O)C1=C(C(=NS1=O)NCCSCC2=CC=CC=N2)N

InChI

InChI=1S/C14H18N4O3S2/c1-2-21-14(19)12-11(15)13(18-23(12)20)17-7-8-22-9-10-5-3-4-6-16-10/h3-6H,2,7-9,15H2,1H3,(H,17,18)