[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

Systemtic Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone Openeye Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-methylbenzofuran-2-yl)methanone CAS Name: [(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-(3-methyl-2-benzofuranyl)methanone IUPAC Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone Traditional Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-(3-methylbenzofuran-2-yl)methanone Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)N3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)N3CCC[C@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H18N2O2S/c1-13-14-7-2-4-10-17(14)25-19(13)21(24)23-12-6-9-16(23)20-22-15-8-3-5-11-18(15)26-20/h2-5,7-8,10-11,16H,6,9,12H2,1H3/t16-/m0/s1