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

Systemtic Name: ethyl 2-[(4-acetamido-5-methyl-2-nitro-phenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(4-acetamido-5-methyl-2-nitro-phenyl)sulfonylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(4-acetamido-5-methyl-2-nitrophenyl)sulfonylamino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-acetamido-5-methyl-2-nitrophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-acetamido-5-methyl-2-nitro-phenyl)sulfonylamino]-4-methyl-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)NS(=O)(=O)C2=C(C=C(C(=C2)C)NC(=O)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O7S2/c1-5-27-15(22)14-9(3)17-16(28-14)19-29(25,26)13-6-8(2)11(18-10(4)21)7-12(13)20(23)24/h6-7H,5H2,1-4H3,(H,17,19)(H,18,21)