(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C26H20N2O4S MolecularWeight: 456.513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H20N2O4S/c1-16-11-20-18(13-24(29)32-22(20)12-17(16)2)15-31-26(30)21-14-28(19-7-4-3-5-8-19)27-25(21)23-9-6-10-33-23/h3-14H,15H2,1-2H3