(3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-keto-3-phenyl-isochroman-6-carboxamide Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O3S/c1-2-17-22-23-20(27-17)21-18(24)13-8-9-15-14(10-13)11-16(26-19(15)25)12-6-4-3-5-7-12/h3-10,16H,2,11H2,1H3,(H,21,23,24)/t16-/m0/s1