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

Systemtic Name: ethyl 2-[2-(5-chloranyl-2-nitro-phenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(5-chloro-2-nitro-benzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(5-chloro-2-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(5-chloro-2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(5-chloro-2-nitro-benzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H14ClN3O5S MolecularWeight: 419.83886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN3O5S/c1-2-27-16(23)10-21-14-5-3-4-6-15(14)28-18(21)20-17(24)12-9-11(19)7-8-13(12)22(25)26/h3-9H,2,10H2,1H3