(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl) 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl) 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (6-methoxy-2,2-dimethyl-chroman-4-yl) 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid (6-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl) ester IUPAC Name: (6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl) 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid (6-methoxy-2,2-dimethyl-chroman-4-yl) ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC3CC(OC4=C3C=C(C=C4)OC)(C)C)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC3CC(OC4=C3C=C(C=C4)OC)(C)C)C5=CC=CC=C5

InChI

InChI=1S/C25H24N2O4S/c1-15-18-13-22(32-23(18)27(26-15)16-8-6-5-7-9-16)24(28)30-21-14-25(2,3)31-20-11-10-17(29-4)12-19(20)21/h5-13,21H,14H2,1-4H3