N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2-phenyl-ethanamide Openeye Name: N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxo-ethyl]-2-phenyl-acetamide CAS Name: N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-oxoethyl]-2-phenylacetamide IUPAC Name: N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide Traditional Name: N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-keto-ethyl]-2-phenyl-acetamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC(=O)CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC(=O)CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O2S/c25-19(13-15-7-2-1-3-8-15)22-14-20(26)24-12-6-10-17(24)21-23-16-9-4-5-11-18(16)27-21/h1-5,7-9,11,17H,6,10,12-14H2,(H,22,25)/t17-/m0/s1