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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

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