ethyl 2-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(4-methoxy-3-nitro-benzoyl)carbamothioylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-methoxy-3-nitro-benzoyl)thiocarbamoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C16H16N4O6S2 MolecularWeight: 424.45144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C

InChI

InChI=1S/C16H16N4O6S2/c1-4-26-14(22)12-8(2)17-16(28-12)19-15(27)18-13(21)9-5-6-11(25-3)10(7-9)20(23)24/h5-7H,4H2,1-3H3,(H2,17,18,19,21,27)