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

Systemtic Name: ethyl 3-[6-ethyl-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-ethyl-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethyl-2-[(5-nitro-2-furanyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-ethyl-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-ethyl-2-(5-nitro-2-furoyl)imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])S2)CCC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])S2)CCC(=O)OCC

InChI

InChI=1S/C19H19N3O6S/c1-3-12-5-6-13-15(11-12)29-19(21(13)10-9-17(23)27-4-2)20-18(24)14-7-8-16(28-14)22(25)26/h5-8,11H,3-4,9-10H2,1-2H3