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

Systemtic Name: ethyl 7-acetyloxy-3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 7-acetoxy-3-(1,3-benzothiazol-2-yl)-4-oxo-chromene-2-carboxylate CAS Name: 7-acetyloxy-3-(1,3-benzothiazol-2-yl)-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-acetyloxy-3-(1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxylate Traditional Name: 7-acetoxy-3-(1,3-benzothiazol-2-yl)-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C21H15NO6S MolecularWeight: 409.4119

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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)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H15NO6S/c1-3-26-21(25)19-17(20-22-14-6-4-5-7-16(14)29-20)18(24)13-9-8-12(27-11(2)23)10-15(13)28-19/h4-10H,3H2,1-2H3