methyl 3-[6-chloranyl-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-chloranyl-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-chloro-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-chloro-2-[(5-nitro-2-furanyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-chloro-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-chloro-2-(5-nitro-2-furoyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C16H12ClN3O6S MolecularWeight: 409.80098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN3O6S/c1-25-14(21)6-7-19-10-3-2-9(17)8-12(10)27-16(19)18-15(22)11-4-5-13(26-11)20(23)24/h2-5,8H,6-7H2,1H3