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

Systemtic Name: ethyl 7-acetyloxy-3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 7-acetoxy-3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-chromene-2-carboxylate CAS Name: 7-acetyloxy-3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-acetyloxy-3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxochromene-2-carboxylate Traditional Name: 7-acetoxy-3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C23H19NO6S MolecularWeight: 437.46506

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H19NO6S/c1-4-13-10-14-17(11-16(13)29-12(3)25)30-21(23(27)28-5-2)19(20(14)26)22-24-15-8-6-7-9-18(15)31-22/h6-11H,4-5H2,1-3H3