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

Systemtic Name: ethyl 3-methyl-2-(4-oxidanylidenechromen-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-methyl-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[oxo-(4-oxo-1-benzopyran-2-yl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-ketochromene-2-carbonyl)imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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