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

Systemtic Name: ethyl 3-[6-methyl-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-methyl-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-methyl-2-[(5-nitro-2-furanyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-methyl-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-methyl-2-(5-nitro-2-furoyl)imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6S/c1-3-26-16(22)8-9-20-12-5-4-11(2)10-14(12)28-18(20)19-17(23)13-6-7-15(27-13)21(24)25/h4-7,10H,3,8-9H2,1-2H3