ethyl 2-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(4-ethoxy-3-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethoxy-3-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-ethoxy-3-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6S/c1-3-27-15-8-6-11(9-14(15)22(25)26)17(23)21-19-20-13-7-5-12(10-16(13)29-19)18(24)28-4-2/h5-10H,3-4H2,1-2H3,(H,20,21,23)