(3S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-N-[4-(4-acetamidophenyl)thiazol-2-yl]-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-[4-(4-acetamidophenyl)-2-thiazolyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-N-[4-(4-acetamidophenyl)thiazol-2-yl]-1-keto-3-methyl-isochroman-3-carboxamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@@]3(CC4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C22H19N3O4S/c1-13(26)23-16-9-7-14(8-10-16)18-12-30-21(24-18)25-20(28)22(2)11-15-5-3-4-6-17(15)19(27)29-22/h3-10,12H,11H2,1-2H3,(H,23,26)(H,24,25,28)/t22-/m0/s1