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

Systemtic Name: methyl 3-[2-(5-chloranyl-2-nitro-phenyl)carbonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18ClN3O7S MolecularWeight: 479.89082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])N2CCC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])N2CCC(=O)OC

InChI

InChI=1S/C20H18ClN3O7S/c1-29-14-6-7-15(30-2)18-17(14)23(9-8-16(25)31-3)20(32-18)22-19(26)12-10-11(21)4-5-13(12)24(27)28/h4-7,10H,8-9H2,1-3H3