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

Systemtic Name: ethyl 3-(2-methoxyethyl)-2-(4-oxidanylidenechromen-3-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methoxyethyl)-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxyethyl)-2-[oxo-(4-oxo-1-benzopyran-3-yl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methoxyethyl)-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-ketochromene-3-carbonyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=COC4=CC=CC=C4C3=O)S2)CCOC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=COC4=CC=CC=C4C3=O)S2)CCOC

InChI

InChI=1S/C23H20N2O6S/c1-3-30-22(28)14-8-9-17-19(12-14)32-23(25(17)10-11-29-2)24-21(27)16-13-31-18-7-5-4-6-15(18)20(16)26/h4-9,12-13H,3,10-11H2,1-2H3