N-[4-methyl-5-[(4-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: N-[4-methyl-5-[(4-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: N-[4-methyl-5-[(4-nitrophenyl)methyl]thiazol-2-yl]-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: N-[4-methyl-5-[(4-nitrophenyl)methyl]-2-thiazolyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: N-[4-methyl-5-[(4-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: 1-keto-N-[4-methyl-5-(4-nitrobenzyl)thiazol-2-yl]-3-phenyl-isochroman-6-carboxamide Formula: C27H21N3O5S MolecularWeight: 499.53774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H21N3O5S/c1-16-24(13-17-7-10-21(11-8-17)30(33)34)36-27(28-16)29-25(31)19-9-12-22-20(14-19)15-23(35-26(22)32)18-5-3-2-4-6-18/h2-12,14,23H,13,15H2,1H3,(H,28,29,31)