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

Systemtic Name: methyl 2-[2-(5-chloranyl-2-nitro-phenyl)carbonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(5-chloro-2-nitro-benzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(5-chloro-2-nitrophenyl)-oxomethyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(5-chloro-2-nitrobenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(5-chloro-2-nitro-benzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H16ClN3O6S MolecularWeight: 449.86484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])S2)CC(=O)OC

InChI

InChI=1S/C19H16ClN3O6S/c1-3-29-12-5-7-15-16(9-12)30-19(22(15)10-17(24)28-2)21-18(25)13-8-11(20)4-6-14(13)23(26)27/h4-9H,3,10H2,1-2H3