(2S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[4-(4-ethylphenyl)thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[4-(4-ethylphenyl)-2-thiazolyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-(4-ethylphenyl)thiazol-2-yl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N3O2S2/c1-2-14-7-9-15(10-8-14)16-13-28-21(22-16)23-19(25)17-5-3-11-24(17)20(26)18-6-4-12-27-18/h4,6-10,12-13,17H,2-3,5,11H2,1H3,(H,22,23,25)/t17-/m0/s1