ethyl 3-[2-(5-chloranyl-2-nitro-phenyl)carbonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(5-chloranyl-2-nitro-phenyl)carbonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(5-chloro-2-nitro-benzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(5-chloro-2-nitrophenyl)-oxomethyl]imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(5-chloro-2-nitrobenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(5-chloro-2-nitro-benzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H20ClN3O7S MolecularWeight: 493.9174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])OC)OC

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H20ClN3O7S/c1-4-32-17(26)9-10-24-18-15(30-2)7-8-16(31-3)19(18)33-21(24)23-20(27)13-11-12(22)5-6-14(13)25(28)29/h5-8,11H,4,9-10H2,1-3H3