ethyl 3-(1,3-benzothiazol-2-yl)-7-(2,2-dimethylpropanoyloxy)-6-ethyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(2,2-dimethylpropanoyloxy)-6-ethyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(2,2-dimethylpropanoyloxy)-6-ethyl-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-(2,2-dimethyl-1-oxopropoxy)-6-ethyl-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(2,2-dimethylpropanoyloxy)-6-ethyl-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-7-pivaloyloxy-chromene-2-carboxylic acid ethyl ester Formula: C26H25NO6S MolecularWeight: 479.5448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)OC(=O)C(C)(C)C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)OC(=O)C(C)(C)C

InChI

InChI=1S/C26H25NO6S/c1-6-14-12-15-18(13-17(14)33-25(30)26(3,4)5)32-22(24(29)31-7-2)20(21(15)28)23-27-16-10-8-9-11-19(16)34-23/h8-13H,6-7H2,1-5H3