(3R)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3R)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-1-keto-isochroman-3-carboxamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)C2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)[C@H]2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C16H17N3O3S/c1-9(2)7-13-18-19-16(23-13)17-14(20)12-8-10-5-3-4-6-11(10)15(21)22-12/h3-6,9,12H,7-8H2,1-2H3,(H,17,19,20)/t12-/m1/s1