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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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