methyl 2-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-5-pentan-3-yl-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-5-pentan-3-yl-1,3-thiazole-4-carboxylate Openeye Name: methyl 5-(1-ethylpropyl)-2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]thiazole-4-carboxylate CAS Name: 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-5-pentan-3-yl-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-5-pentan-3-yl-1,3-thiazole-4-carboxylate Traditional Name: 5-(1-ethylpropyl)-2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]thiazole-4-carboxylic acid methyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C(N=C(S1)NC(=C(C2=CC=CC=C2)NO)N=O)C(=O)OC

Isomeric SMILES

CCC(CC)C1=C(N=C(S1)N/C(=C(/C2=CC=CC=C2)\NO)/N=O)C(=O)OC

InChI

InChI=1S/C18H22N4O4S/c1-4-11(5-2)15-14(17(23)26-3)19-18(27-15)20-16(22-25)13(21-24)12-9-7-6-8-10-12/h6-11,21,24H,4-5H2,1-3H3,(H,19,20)/b16-13+