ethyl 2-[(5-chloranyl-2-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(5-chloranyl-2-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(5-chloro-2-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(5-chloro-2-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(5-chloro-2-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C17H12ClN3O5S MolecularWeight: 405.81228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O5S/c1-2-26-16(23)9-3-5-12-14(7-9)27-17(19-12)20-15(22)11-8-10(18)4-6-13(11)21(24)25/h3-8H,2H2,1H3,(H,19,20,22)