3-methyl-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: 3-methyl-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: 3-methyl-N-[5-(o-tolylmethyl)thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: 3-methyl-N-[5-[(2-methylphenyl)methyl]-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 3-methyl-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-4H-isochromene-3-carboxamide Traditional Name: 1-keto-3-methyl-N-[5-(2-methylbenzyl)thiazol-2-yl]isochroman-3-carboxamide Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=CN=C(S2)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

CC1=CC=CC=C1CC2=CN=C(S2)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C22H20N2O3S/c1-14-7-3-4-8-15(14)11-17-13-23-21(28-17)24-20(26)22(2)12-16-9-5-6-10-18(16)19(25)27-22/h3-10,13H,11-12H2,1-2H3,(H,23,24,26)