ethyl 3-ethyl-2-(4-oxidanylidenechromen-3-yl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-ethyl-2-(4-oxidanylidenechromen-3-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-ethyl-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[oxo-(4-oxo-1-benzopyran-3-yl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-(4-ketochromene-3-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=COC4=CC=CC=C4C3=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H18N2O5S/c1-3-24-16-10-9-13(21(27)28-4-2)11-18(16)30-22(24)23-20(26)15-12-29-17-8-6-5-7-14(17)19(15)25/h5-12H,3-4H2,1-2H3