N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4,5-triethoxy-benzamide

Systemtic Name: N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4,5-triethoxy-benzamide Openeye Name: N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4,5-triethoxy-benzamide CAS Name: N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4,5-triethoxybenzamide IUPAC Name: N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4,5-triethoxybenzamide Traditional Name: N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4,5-triethoxy-benzamide Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C3CSCC3=NN2C(C)(C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C3CSCC3=NN2C(C)(C)C

InChI

InChI=1S/C22H31N3O4S/c1-7-27-17-10-14(11-18(28-8-2)19(17)29-9-3)21(26)23-20-15-12-30-13-16(15)24-25(20)22(4,5)6/h10-11H,7-9,12-13H2,1-6H3,(H,23,26)