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

Systemtic Name: (3R)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-N-[4-(2,4-dimethylphenyl)thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-N-[4-(2,4-dimethylphenyl)-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-N-[4-(2,4-dimethylphenyl)thiazol-2-yl]-1-keto-isochroman-3-carboxamide Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3CC4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)[C@H]3CC4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C21H18N2O3S/c1-12-7-8-15(13(2)9-12)17-11-27-21(22-17)23-19(24)18-10-14-5-3-4-6-16(14)20(25)26-18/h3-9,11,18H,10H2,1-2H3,(H,22,23,24)/t18-/m1/s1