(3S)-N-(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-N-(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-N-(5-acetyl-4-phenyl-thiazol-2-yl)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-(5-acetyl-4-phenyl-2-thiazolyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-N-(5-acetyl-4-phenyl-thiazol-2-yl)-1-keto-3-methyl-isochroman-3-carboxamide Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(S1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(N=C(S1)NC(=O)[C@@]2(CC3=CC=CC=C3C(=O)O2)C)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O4S/c1-13(25)18-17(14-8-4-3-5-9-14)23-21(29-18)24-20(27)22(2)12-15-10-6-7-11-16(15)19(26)28-22/h3-11H,12H2,1-2H3,(H,23,24,27)/t22-/m0/s1