4-(1,3-benzothiazol-2-yl)-1-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[(2S)-2-(4-pyridyl)pyrrolidin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[(2S)-2-pyridin-4-yl-1-pyrrolidinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[(2S)-2-(4-pyridyl)pyrrolidino]butan-1-one Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCC2=NC3=CC=CC=C3S2)C4=CC=NC=C4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCCC2=NC3=CC=CC=C3S2)C4=CC=NC=C4

InChI

InChI=1S/C20H21N3OS/c24-20(23-14-4-6-17(23)15-10-12-21-13-11-15)9-3-8-19-22-16-5-1-2-7-18(16)25-19/h1-2,5,7,10-13,17H,3-4,6,8-9,14H2/t17-/m0/s1