ethyl 2-[6-ethoxy-2-(4-oxidanylidenechromen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-ethoxy-2-(4-oxidanylidenechromen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[oxo-(4-oxo-1-benzopyran-2-yl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(4-ketochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H20N2O6S MolecularWeight: 452.4797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=O)C4=CC=CC=C4O3)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=O)C4=CC=CC=C4O3)S2)CC(=O)OCC

InChI

InChI=1S/C23H20N2O6S/c1-3-29-14-9-10-16-20(11-14)32-23(25(16)13-21(27)30-4-2)24-22(28)19-12-17(26)15-7-5-6-8-18(15)31-19/h5-12H,3-4,13H2,1-2H3