5-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

Systemtic Name: 5-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide Openeye Name: 5-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-thiazol-2-yl-pyrrole-3-carboxamide CAS Name: 5-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-(2-thiazolyl)-3-pyrrolecarboxamide IUPAC Name: 5-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide Traditional Name: 5-butyl-1-homoveratryl-2-methyl-4-thiazol-2-yl-pyrrole-3-carboxamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CCC2=CC(=C(C=C2)OC)OC)C)C(=O)N)C3=NC=CS3

Isomeric SMILES

CCCCC1=C(C(=C(N1CCC2=CC(=C(C=C2)OC)OC)C)C(=O)N)C3=NC=CS3

InChI

InChI=1S/C23H29N3O3S/c1-5-6-7-17-21(23-25-11-13-30-23)20(22(24)27)15(2)26(17)12-10-16-8-9-18(28-3)19(14-16)29-4/h8-9,11,13-14H,5-7,10,12H2,1-4H3,(H2,24,27)