(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-phenyl-1,3-thiazole-4-carboxylate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-phenyl-1,3-thiazole-4-carboxylate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 2-phenylthiazole-4-carboxylate CAS Name: 2-phenyl-4-thiazolecarboxylic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-phenyl-1,3-thiazole-4-carboxylate Traditional Name: 2-phenylthiazole-4-carboxylic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H17NO5S MolecularWeight: 407.43908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CSC(=N3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CSC(=N3)C4=CC=CC=C4)O

InChI

InChI=1S/C22H17NO5S/c1-2-13-8-16-15(9-20(25)28-19(16)10-18(13)24)11-27-22(26)17-12-29-21(23-17)14-6-4-3-5-7-14/h3-10,12,24H,2,11H2,1H3