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

Systemtic Name: methyl 2-[2-(1-benzofuran-2-ylcarbonylimino)-6-ethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(benzofuran-2-carbonylimino)-6-ethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-benzofuranyl(oxo)methyl]imino-6-ethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1-benzofuran-2-carbonylimino)-6-ethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(benzofuran-2-carbonylimino)-6-ethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4O3)S2)CC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4O3)S2)CC(=O)OC

InChI

InChI=1S/C21H18N2O4S/c1-3-13-8-9-15-18(10-13)28-21(23(15)12-19(24)26-2)22-20(25)17-11-14-6-4-5-7-16(14)27-17/h4-11H,3,12H2,1-2H3