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

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

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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)CCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O6S/c1-11(2)12-4-5-13-15(10-12)29-19(21(13)9-8-17(23)27-3)20-18(24)14-6-7-16(28-14)22(25)26/h4-7,10-11H,8-9H2,1-3H3