[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C16H16N4O5S MolecularWeight: 376.38704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CSC(=N2)NCC=C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CSC(=N2)NCC=C

InChI

InChI=1S/C16H16N4O5S/c1-3-6-17-16-19-13(9-26-16)15(22)25-8-14(21)18-12-7-11(20(23)24)5-4-10(12)2/h3-5,7,9H,1,6,8H2,2H3,(H,17,19)(H,18,21)