3-methyl-N-[4-methyl-5-[(4-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: 3-methyl-N-[4-methyl-5-[(4-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: 3-methyl-N-[4-methyl-5-[(4-nitrophenyl)methyl]thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: 3-methyl-N-[4-methyl-5-[(4-nitrophenyl)methyl]-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 3-methyl-N-[4-methyl-5-[(4-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-4H-isochromene-3-carboxamide Traditional Name: 1-keto-3-methyl-N-[4-methyl-5-(4-nitrobenzyl)thiazol-2-yl]isochroman-3-carboxamide Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5S/c1-13-18(11-14-7-9-16(10-8-14)25(28)29)31-21(23-13)24-20(27)22(2)12-15-5-3-4-6-17(15)19(26)30-22/h3-10H,11-12H2,1-2H3,(H,23,24,27)