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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-(2-methylpropanoyloxy)-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-(2-methylpropanoyloxy)-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-(2-methyl-1-oxopropoxy)-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-(2-methylpropanoyloxy)-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-isobutyryloxy-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C25H23NO6S MolecularWeight: 465.51822

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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

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

InChI

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