N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-2-thiophenecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide Traditional Name: N-homoveratryl-3-methyl-5-(pivaloylamino)thiophene-2-carboxamide Formula: C21H28N2O4S MolecularWeight: 404.52302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H28N2O4S/c1-13-11-17(23-20(25)21(2,3)4)28-18(13)19(24)22-10-9-14-7-8-15(26-5)16(12-14)27-6/h7-8,11-12H,9-10H2,1-6H3,(H,22,24)(H,23,25)