(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(4,5-dihydrothiazol-2-ylthio)methyl]-2-benzofurancarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(2-thiazolin-2-ylthio)methyl]coumarilic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NCCS3

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NCCS3

InChI

InChI=1S/C19H17N3O4S2/c1-11(21)13(8-20)15(23)9-25-18(24)17-14(10-28-19-22-6-7-27-19)12-4-2-3-5-16(12)26-17/h2-5,13,21H,6-7,9-10H2,1H3