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

Systemtic Name: (3R)-1-oxidanylidene-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-N-[5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-1-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-1-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-1-keto-N-(5-p-cumenyl-1,3,4-thiadiazol-2-yl)isochroman-3-carboxamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)[C@H]3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H19N3O3S/c1-12(2)13-7-9-14(10-8-13)19-23-24-21(28-19)22-18(25)17-11-15-5-3-4-6-16(15)20(26)27-17/h3-10,12,17H,11H2,1-2H3,(H,22,24,25)/t17-/m1/s1