(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C13H8ClN3O3S MolecularWeight: 321.73892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=C(SN=N3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=C(SN=N3)Cl

InChI

InChI=1S/C13H8ClN3O3S/c14-11-10(16-17-21-11)6-20-13(19)9-5-7-3-1-2-4-8(7)12(18)15-9/h1-5H,6H2,(H,15,18)