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

Systemtic Name: (3S)-1-oxidanylidene-N-[3-(2-oxidanylidenepropyl)-1,2,4-thiadiazol-5-yl]-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-(3-acetonyl-1,2,4-thiadiazol-5-yl)-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-1-oxo-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-1-oxo-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-N-(3-acetonyl-1,2,4-thiadiazol-5-yl)-1-keto-3-phenyl-isochroman-6-carboxamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NSC(=N1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)CC1=NSC(=N1)NC(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O4S/c1-12(25)9-18-22-21(29-24-18)23-19(26)14-7-8-16-15(10-14)11-17(28-20(16)27)13-5-3-2-4-6-13/h2-8,10,17H,9,11H2,1H3,(H,22,23,24,26)/t17-/m0/s1