1-butyl-2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-butyl-2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-butyl-2-(4-methoxyphenyl)-N-[(3-methyl-2-thienyl)methyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-butyl-2-(4-methoxyphenyl)-N-[(3-methyl-2-thiophenyl)methyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-butyl-2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-butyl-5-keto-2-(4-methoxyphenyl)-N-[(3-methyl-2-thienyl)methyl]pyrrolidine-3-carboxamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CC1=O)C(=O)NCC2=C(C=CS2)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(C(CC1=O)C(=O)NCC2=C(C=CS2)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O3S/c1-4-5-11-24-20(25)13-18(21(24)16-6-8-17(27-3)9-7-16)22(26)23-14-19-15(2)10-12-28-19/h6-10,12,18,21H,4-5,11,13-14H2,1-3H3,(H,23,26)