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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-7-propanoyloxy-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-4-oxo-7-propanoyloxy-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-4-oxo-7-(1-oxopropoxy)-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-4-oxo-7-propanoyloxychromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-keto-7-propionyloxy-chromene-2-carboxylic acid ethyl ester Formula: C22H17NO6S MolecularWeight: 423.43848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17NO6S/c1-3-17(24)28-12-9-10-13-15(11-12)29-20(22(26)27-4-2)18(19(13)25)21-23-14-7-5-6-8-16(14)30-21/h5-11H,3-4H2,1-2H3