ethyl 2-(2-chloranyl-5-nitro-phenyl)carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(2-chloranyl-5-nitro-phenyl)carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2-chloro-5-nitro-benzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2-chloro-5-nitrophenyl)-oxomethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-chloro-5-nitrobenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-chloro-5-nitro-benzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H16ClN3O5S MolecularWeight: 433.86544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H16ClN3O5S/c1-3-22-15-8-5-11(18(25)28-4-2)9-16(15)29-19(22)21-17(24)13-10-12(23(26)27)6-7-14(13)20/h5-10H,3-4H2,1-2H3