(2S)-N-[(4-butoxy-3-methoxy-phenyl)methyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-butoxy-3-methoxy-phenyl)methyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-butoxy-3-methoxy-phenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-butoxy-3-methoxyphenyl)methyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-butoxy-3-methoxyphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-butoxy-3-methoxy-benzyl)-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)C2CCCN2C(=O)C3=CC=CS3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3)OC

InChI

InChI=1S/C22H28N2O4S/c1-3-4-12-28-18-10-9-16(14-19(18)27-2)15-23-21(25)17-7-5-11-24(17)22(26)20-8-6-13-29-20/h6,8-10,13-14,17H,3-5,7,11-12,15H2,1-2H3,(H,23,25)/t17-/m0/s1