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

Systemtic Name: N-[4-methyl-5-[(4-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[4-methyl-5-[(4-nitrophenyl)methyl]thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[4-methyl-5-[(4-nitrophenyl)methyl]-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[4-methyl-5-[(4-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 1-keto-N-[4-methyl-5-(4-nitrobenzyl)thiazol-2-yl]isochroman-3-carboxamide Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S/c1-12-18(10-13-6-8-15(9-7-13)24(27)28)30-21(22-12)23-19(25)17-11-14-4-2-3-5-16(14)20(26)29-17/h2-9,17H,10-11H2,1H3,(H,22,23,25)