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

Systemtic Name: methyl 2-(5-chloranyl-2-nitro-phenyl)carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(5-chloro-2-nitro-benzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(5-chloro-2-nitrophenyl)-oxomethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(5-chloro-2-nitrobenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(5-chloro-2-nitro-benzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H14ClN3O5S MolecularWeight: 419.83886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O5S/c1-3-21-14-6-4-10(17(24)27-2)8-15(14)28-18(21)20-16(23)12-9-11(19)5-7-13(12)22(25)26/h4-9H,3H2,1-2H3