N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[4-(4-methylsulfanylphenyl)thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[4-[4-(methylthio)phenyl]-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 1-keto-N-[4-[4-(methylthio)phenyl]thiazol-2-yl]isochroman-3-carboxamide Formula: C20H16N2O3S2 MolecularWeight: 396.48264

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H16N2O3S2/c1-26-14-8-6-12(7-9-14)16-11-27-20(21-16)22-18(23)17-10-13-4-2-3-5-15(13)19(24)25-17/h2-9,11,17H,10H2,1H3,(H,21,22,23)