(2S)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-ethylphenyl)methyl]-N-(3-pyridylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-ethylphenyl)methyl]-1-[oxo(thiophen-2-yl)methyl]-N-(3-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-ethylbenzyl)-N-(3-pyridylmethyl)-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C25H27N3O2S/c1-2-19-9-11-20(12-10-19)17-27(18-21-6-3-13-26-16-21)24(29)22-7-4-14-28(22)25(30)23-8-5-15-31-23/h3,5-6,8-13,15-16,22H,2,4,7,14,17-18H2,1H3/t22-/m0/s1