ethyl 3-(1,3-benzothiazol-2-yl)-7-(2,2-dimethylpropanoyloxy)-8-methyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(2,2-dimethylpropanoyloxy)-8-methyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(2,2-dimethylpropanoyloxy)-8-methyl-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-(2,2-dimethyl-1-oxopropoxy)-8-methyl-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(2,2-dimethylpropanoyloxy)-8-methyl-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-keto-8-methyl-7-pivaloyloxy-chromene-2-carboxylic acid ethyl ester Formula: C25H23NO6S MolecularWeight: 465.51822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)OC(=O)C(C)(C)C)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)OC(=O)C(C)(C)C)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H23NO6S/c1-6-30-23(28)21-18(22-26-15-9-7-8-10-17(15)33-22)19(27)14-11-12-16(13(2)20(14)32-21)31-24(29)25(3,4)5/h7-12H,6H2,1-5H3