(2S)-N-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[5-[(3-chloro-4-methylphenyl)methyl]-2-thiazolyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[5-(3-chloro-4-methyl-benzyl)thiazol-2-yl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C21H20ClN3O2S2 MolecularWeight: 445.9854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)C3CCCN3C(=O)C4=CC=CS4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C21H20ClN3O2S2/c1-13-6-7-14(11-16(13)22)10-15-12-23-21(29-15)24-19(26)17-4-2-8-25(17)20(27)18-5-3-9-28-18/h3,5-7,9,11-12,17H,2,4,8,10H2,1H3,(H,23,24,26)/t17-/m0/s1