methyl 2-[6-butyl-2-(furan-2-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-butyl-2-(furan-2-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-butyl-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[2-furanyl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-butyl-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-(2-furoylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CO3)S2)CC(=O)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CO3)S2)CC(=O)OC

InChI

InChI=1S/C19H20N2O4S/c1-3-4-6-13-8-9-14-16(11-13)26-19(21(14)12-17(22)24-2)20-18(23)15-7-5-10-25-15/h5,7-11H,3-4,6,12H2,1-2H3