[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone

Systemtic Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone Openeye Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone CAS Name: [(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methanone IUPAC Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone Traditional Name: [(2S)-2-methylolpyrrolidino]-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)CO

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)CO

InChI

InChI=1S/C17H17N3O2S/c21-11-13-4-3-9-20(13)16(22)12-5-6-14-15(10-12)23-17(18-14)19-7-1-2-8-19/h1-2,5-8,10,13,21H,3-4,9,11H2/t13-/m0/s1