ethyl 2-[(5-nitrothiophen-2-yl)carbonylamino]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(5-nitrothiophen-2-yl)carbonylamino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(5-nitrothiophene-2-carbonyl)amino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-nitrothiophene-2-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(5-nitrothiophene-2-carbonyl)amino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=C(S2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=C(S2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H13N3O5S2/c1-2-25-16(22)14-13(10-6-4-3-5-7-10)18-17(27-14)19-15(21)11-8-9-12(26-11)20(23)24/h3-9H,2H2,1H3,(H,18,19,21)