N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 1-keto-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]isochroman-3-carboxamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)C2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)C2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C16H17N3O3S/c1-19-8-6-18-16(19)23-9-7-17-14(20)13-10-11-4-2-3-5-12(11)15(21)22-13/h2-6,8,13H,7,9-10H2,1H3,(H,17,20)