ethyl 3-(1,3-benzothiazol-2-yl)-8-(morpholin-4-ylmethyl)-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-(morpholin-4-ylmethyl)-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(morpholinomethyl)-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(4-morpholinylmethyl)-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(morpholin-4-ylmethyl)-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-8-(morpholinomethyl)chromene-2-carboxylic acid ethyl ester Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCOCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCOCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H22N2O6S/c1-2-31-24(29)22-19(23-25-16-5-3-4-6-18(16)33-23)20(28)14-7-8-17(27)15(21(14)32-22)13-26-9-11-30-12-10-26/h3-8,27H,2,9-13H2,1H3