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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-7-(2-methylpropanoyloxy)-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-7-(2-methylpropanoyloxy)-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-methyl-7-(2-methyl-1-oxopropoxy)-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-7-(2-methylpropanoyloxy)-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-isobutyryloxy-4-keto-8-methyl-chromene-2-carboxylic acid ethyl ester Formula: C24H21NO6S MolecularWeight: 451.49164

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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)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)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H21NO6S/c1-5-29-24(28)21-18(22-25-15-8-6-7-9-17(15)32-22)19(26)14-10-11-16(13(4)20(14)31-21)30-23(27)12(2)3/h6-12H,5H2,1-4H3