methyl 3-nitro-4-[[prop-2-enoxy-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbonyl]amino]methyl]benzoate

Systemtic Name: methyl 3-nitro-4-[[prop-2-enoxy-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbonyl]amino]methyl]benzoate Openeye Name: methyl 4-[[allyloxy-[2-(4-pyridyl)thiazole-4-carbonyl]amino]methyl]-3-nitro-benzoate CAS Name: 3-nitro-4-[[[oxo-(2-pyridin-4-yl-4-thiazolyl)methyl]-prop-2-enoxyamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[[prop-2-enoxy-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[allyloxy-[2-(4-pyridyl)thiazole-4-carbonyl]amino]methyl]-3-nitro-benzoic acid methyl ester Formula: C21H18N4O6S MolecularWeight: 454.45582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)CN(C(=O)C2=CSC(=N2)C3=CC=NC=C3)OCC=C)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)CN(C(=O)C2=CSC(=N2)C3=CC=NC=C3)OCC=C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O6S/c1-3-10-31-24(12-16-5-4-15(21(27)30-2)11-18(16)25(28)29)20(26)17-13-32-19(23-17)14-6-8-22-9-7-14/h3-9,11,13H,1,10,12H2,2H3