3-(1,3-benzothiazol-2-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[(2S)-2-(2-thienyl)pyrrolidino]propan-1-one Formula: C18H18N2OS2 MolecularWeight: 342.47832

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC2=NC3=CC=CC=C3S2)C4=CC=CS4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCC2=NC3=CC=CC=C3S2)C4=CC=CS4

InChI

InChI=1S/C18H18N2OS2/c21-18(20-11-3-6-14(20)16-8-4-12-22-16)10-9-17-19-13-5-1-2-7-15(13)23-17/h1-2,4-5,7-8,12,14H,3,6,9-11H2/t14-/m0/s1