ethyl 4-methyl-2-[3-[(4-nitrophenyl)sulfonylamino]propanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[3-[(4-nitrophenyl)sulfonylamino]propanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[3-[(4-nitrophenyl)sulfonylamino]propanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[3-[(4-nitrophenyl)sulfonylamino]-1-oxopropyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[3-[(4-nitrophenyl)sulfonylamino]propanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[3-(nosylamino)propanoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C16H18N4O7S2 MolecularWeight: 442.46672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O7S2/c1-3-27-15(22)14-10(2)18-16(28-14)19-13(21)8-9-17-29(25,26)12-6-4-11(5-7-12)20(23)24/h4-7,17H,3,8-9H2,1-2H3,(H,18,19,21)