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

Systemtic Name: methyl 3-[2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(5-nitro-2-furanyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(5-nitro-2-furoyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6S/c1-24-14(20)8-9-18-10-4-2-3-5-12(10)26-16(18)17-15(21)11-6-7-13(25-11)19(22)23/h2-7H,8-9H2,1H3