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

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

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C24H21NO6S/c1-4-13-11-14-17(12-16(13)30-19(26)5-2)31-22(24(28)29-6-3)20(21(14)27)23-25-15-9-7-8-10-18(15)32-23/h7-12H,4-6H2,1-3H3