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

Systemtic Name: methyl 3-ethyl-2-(4-oxidanylidenechromen-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O5S/c1-3-23-14-9-8-12(20(26)27-2)10-18(14)29-21(23)22-19(25)17-11-15(24)13-6-4-5-7-16(13)28-17/h4-11H,3H2,1-2H3