N-(1,3-benzothiazol-2-ylmethyl)-3-[(2S)-5-oxidanylidene-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(2S)-5-oxidanylidene-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(2S)-5-oxo-2-(3-thienylmethyl)pyrrolidin-2-yl]propanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(2S)-5-oxo-2-(3-thiophenylmethyl)-2-pyrrolidinyl]propanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(2S)-5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(2S)-5-keto-2-(3-thenyl)pyrrolidin-2-yl]propionamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1=O)(CCC(=O)NCC2=NC3=CC=CC=C3S2)CC4=CSC=C4

Isomeric SMILES

C1C[C@](NC1=O)(CCC(=O)NCC2=NC3=CC=CC=C3S2)CC4=CSC=C4

InChI

InChI=1S/C20H21N3O2S2/c24-17(21-12-19-22-15-3-1-2-4-16(15)27-19)5-8-20(9-6-18(25)23-20)11-14-7-10-26-13-14/h1-4,7,10,13H,5-6,8-9,11-12H2,(H,21,24)(H,23,25)/t20-/m1/s1