ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-6-(morpholin-4-ylmethyl)-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-6-(morpholin-4-ylmethyl)-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-6-(morpholinomethyl)-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-6-(4-morpholinylmethyl)-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-6-(morpholin-4-ylmethyl)-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-8-methyl-6-(morpholinomethyl)chromene-2-carboxylic acid ethyl ester Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC(=C(C(=C2O1)C)O)CN3CCOCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC(=C(C(=C2O1)C)O)CN3CCOCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H24N2O6S/c1-3-32-25(30)23-19(24-26-17-6-4-5-7-18(17)34-24)21(29)16-12-15(13-27-8-10-31-11-9-27)20(28)14(2)22(16)33-23/h4-7,12,28H,3,8-11,13H2,1-2H3