(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1,3-dimethyl-5-thieno[2,3-c]pyrazolecarboxylic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(S3)N(N=C4C)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(S3)N(N=C4C)C)O

InChI

InChI=1S/C20H18N2O5S/c1-4-11-5-14-12(6-18(24)27-16(14)8-15(11)23)9-26-20(25)17-7-13-10(2)21-22(3)19(13)28-17/h5-8,23H,4,9H2,1-3H3