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

Systemtic Name: 5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide Openeye Name: 5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-thiazol-2-yl-pyrrole-3-carboxamide CAS Name: 5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(2-thiazolyl)-3-pyrrolecarboxamide IUPAC Name: 5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide Traditional Name: 5-butyl-2-methyl-1-o-anisyl-4-thiazol-2-yl-pyrrole-3-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CC2=CC=CC=C2OC)C)C(=O)N)C3=NC=CS3

Isomeric SMILES

CCCCC1=C(C(=C(N1CC2=CC=CC=C2OC)C)C(=O)N)C3=NC=CS3

InChI

InChI=1S/C21H25N3O2S/c1-4-5-9-16-19(21-23-11-12-27-21)18(20(22)25)14(2)24(16)13-15-8-6-7-10-17(15)26-3/h6-8,10-12H,4-5,9,13H2,1-3H3,(H2,22,25)