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

Systemtic Name: ethyl 2-[(3-methoxycarbonyl-5-nitro-phenyl)carbonylamino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(3-methoxycarbonyl-5-nitro-benzoyl)amino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[(3-methoxycarbonyl-5-nitrophenyl)-oxomethyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-methoxycarbonyl-5-nitrobenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-carbomethoxy-5-nitro-benzoyl)amino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O7S/c1-3-31-20(27)17-16(12-7-5-4-6-8-12)22-21(32-17)23-18(25)13-9-14(19(26)30-2)11-15(10-13)24(28)29/h4-11H,3H2,1-2H3,(H,22,23,25)