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

Systemtic Name: (3R)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-N-[4-(4-acetamidophenyl)thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-N-[4-(4-acetamidophenyl)-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-N-[4-(4-acetamidophenyl)thiazol-2-yl]-1-keto-isochroman-3-carboxamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H]3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H17N3O4S/c1-12(25)22-15-8-6-13(7-9-15)17-11-29-21(23-17)24-19(26)18-10-14-4-2-3-5-16(14)20(27)28-18/h2-9,11,18H,10H2,1H3,(H,22,25)(H,23,24,26)/t18-/m1/s1