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

Systemtic Name: methyl 2-[2-(5-nitrofuran-2-yl)carbonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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