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

Systemtic Name: methyl 2-[6-ethoxy-2-(2-oxidanylidenechromen-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethoxy-2-(2-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethoxy-2-(2-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(2-ketochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4OC3=O)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4OC3=O)S2)CC(=O)OC

InChI

InChI=1S/C22H18N2O6S/c1-3-29-14-8-9-16-18(11-14)31-22(24(16)12-19(25)28-2)23-20(26)15-10-13-6-4-5-7-17(13)30-21(15)27/h4-11H,3,12H2,1-2H3