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

Systemtic Name: ethyl 7-acetyloxy-3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-6-propyl-chromene-2-carboxylate Openeye Name: ethyl 7-acetoxy-3-(1,3-benzothiazol-2-yl)-4-oxo-6-propyl-chromene-2-carboxylate CAS Name: 7-acetyloxy-3-(1,3-benzothiazol-2-yl)-4-oxo-6-propyl-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-acetyloxy-3-(1,3-benzothiazol-2-yl)-4-oxo-6-propylchromene-2-carboxylate Traditional Name: 7-acetoxy-3-(1,3-benzothiazol-2-yl)-4-keto-6-propyl-chromene-2-carboxylic acid ethyl ester Formula: C24H21NO6S MolecularWeight: 451.49164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)OC(=O)C

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)OC(=O)C

InChI

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