ethyl 2-[6-acetamido-2-(5-chloranyl-2-nitro-phenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-acetamido-2-(5-chloranyl-2-nitro-phenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-(5-chloro-2-nitro-benzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(5-chloro-2-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-(5-chloro-2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(5-chloro-2-nitro-benzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H17ClN4O6S MolecularWeight: 476.89018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN4O6S/c1-3-31-18(27)10-24-16-7-5-13(22-11(2)26)9-17(16)32-20(24)23-19(28)14-8-12(21)4-6-15(14)25(29)30/h4-9H,3,10H2,1-2H3,(H,22,26)