(4-nitrophenyl)methyl 3-methyl-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]carbonylamino]but-2-enoate

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]carbonylamino]but-2-enoate Openeye Name: (4-nitrophenyl)methyl 3-methyl-2-[[2-(phenoxymethyl)thiazole-4-carbonyl]amino]but-2-enoate CAS Name: 3-methyl-2-[[oxo-[2-(phenoxymethyl)-4-thiazolyl]methyl]amino]-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-2-[[2-(phenoxymethyl)-1,3-thiazole-4-carbonyl]amino]but-2-enoate Traditional Name: 3-methyl-2-[[2-(phenoxymethyl)thiazole-4-carbonyl]amino]but-2-enoic acid (4-nitrobenzyl) ester Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CSC(=N2)COC3=CC=CC=C3)C

Isomeric SMILES

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CSC(=N2)COC3=CC=CC=C3)C

InChI

InChI=1S/C23H21N3O6S/c1-15(2)21(23(28)32-12-16-8-10-17(11-9-16)26(29)30)25-22(27)19-14-33-20(24-19)13-31-18-6-4-3-5-7-18/h3-11,14H,12-13H2,1-2H3,(H,25,27)