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

Systemtic Name: ethyl 2-(4-oxidanylidenechromen-3-yl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-oxochromene-3-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo-(4-oxo-1-benzopyran-3-yl)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-oxochromene-3-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-ketochromene-3-carbonyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H16N2O5S MolecularWeight: 432.44854

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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)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C23H16N2O5S/c1-3-11-25-17-10-9-14(22(28)29-4-2)12-19(17)31-23(25)24-21(27)16-13-30-18-8-6-5-7-15(18)20(16)26/h1,5-10,12-13H,4,11H2,2H3