methyl 5-[4-chloranyl-2-[(4-cyano-3-oxidanylidene-1,2-thiazol-5-yl)amino]phenyl]furan-2-carboxylate

Systemtic Name: methyl 5-[4-chloranyl-2-[(4-cyano-3-oxidanylidene-1,2-thiazol-5-yl)amino]phenyl]furan-2-carboxylate Openeye Name: methyl 5-[4-chloro-2-[(4-cyano-3-oxo-isothiazol-5-yl)amino]phenyl]furan-2-carboxylate CAS Name: 5-[4-chloro-2-[(4-cyano-3-oxo-5-isothiazolyl)amino]phenyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[4-chloro-2-[(4-cyano-3-oxo-1,2-thiazol-5-yl)amino]phenyl]furan-2-carboxylate Traditional Name: 5-[4-chloro-2-[(4-cyano-3-keto-4-isothiazolin-5-yl)amino]phenyl]furan-2-carboxylic acid methyl ester Formula: C16H10ClN3O4S MolecularWeight: 375.7863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)Cl)NC3=C(C(=O)NS3)C#N

Isomeric SMILES

COC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)Cl)NC3=C(C(=O)NS3)C#N

InChI

InChI=1S/C16H10ClN3O4S/c1-23-16(22)13-5-4-12(24-13)9-3-2-8(17)6-11(9)19-15-10(7-18)14(21)20-25-15/h2-6,19H,1H3,(H,20,21)