methyl 2-[2-(1-benzofuran-2-ylcarbonylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(1-benzofuran-2-ylcarbonylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(benzofuran-2-carbonylimino)-6-isopropyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-benzofuranyl(oxo)methyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1-benzofuran-2-carbonylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(benzofuran-2-carbonylimino)-6-isopropyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4O3)S2)CC(=O)OC

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4O3)S2)CC(=O)OC

InChI

InChI=1S/C22H20N2O4S/c1-13(2)14-8-9-16-19(11-14)29-22(24(16)12-20(25)27-3)23-21(26)18-10-15-6-4-5-7-17(15)28-18/h4-11,13H,12H2,1-3H3