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

Systemtic Name: ethyl 3-ethyl-2-(4-oxidanylidenechromen-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-ethyl-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[oxo-(4-oxo-1-benzopyran-2-yl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-(4-ketochromene-2-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=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

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