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

Systemtic Name: ethyl 2-[6-bromanyl-2-(2-chloranyl-5-nitro-phenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-(2-chloro-5-nitro-benzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[(2-chloro-5-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-(2-chloro-5-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-(2-chloro-5-nitro-benzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H13BrClN3O5S MolecularWeight: 498.73492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrClN3O5S/c1-2-28-16(24)9-22-14-6-3-10(19)7-15(14)29-18(22)21-17(25)12-8-11(23(26)27)4-5-13(12)20/h3-8H,2,9H2,1H3