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

Systemtic Name: (3S)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-3-methyl-1-oxo-N-[4-(p-tolyl)thiazol-2-yl]isochromane-3-carboxamide CAS Name: (3S)-3-methyl-N-[4-(4-methylphenyl)-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-1-keto-3-methyl-N-[4-(p-tolyl)thiazol-2-yl]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)C3(CC4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3S/c1-13-7-9-14(10-8-13)17-12-27-20(22-17)23-19(25)21(2)11-15-5-3-4-6-16(15)18(24)26-21/h3-10,12H,11H2,1-2H3,(H,22,23,25)/t21-/m0/s1