1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-4-thiophen-3-yl-pyrrole-3-carboxamide

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-4-thiophen-3-yl-pyrrole-3-carboxamide Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-4-(3-thienyl)pyrrole-3-carboxamide CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-4-(3-thiophenyl)-3-pyrrolecarboxamide IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-4-thiophen-3-ylpyrrole-3-carboxamide Traditional Name: 1-homoveratryl-2,5-dimethyl-4-(3-thienyl)pyrrole-3-carboxamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CCC2=CC(=C(C=C2)OC)OC)C)C(=O)N)C3=CSC=C3

Isomeric SMILES

CC1=C(C(=C(N1CCC2=CC(=C(C=C2)OC)OC)C)C(=O)N)C3=CSC=C3

InChI

InChI=1S/C21H24N2O3S/c1-13-19(16-8-10-27-12-16)20(21(22)24)14(2)23(13)9-7-15-5-6-17(25-3)18(11-15)26-4/h5-6,8,10-12H,7,9H2,1-4H3,(H2,22,24)