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

Systemtic Name: methyl 2-(4-oxidanylidenechromen-2-yl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-oxochromene-2-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo-(4-oxo-1-benzopyran-2-yl)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-oxochromene-2-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-ketochromene-2-carbonyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H14N2O5S MolecularWeight: 418.42196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14N2O5S/c1-3-10-24-15-9-8-13(21(27)28-2)11-19(15)30-22(24)23-20(26)18-12-16(25)14-6-4-5-7-17(14)29-18/h1,4-9,11-12H,10H2,2H3