[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone

Systemtic Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone Openeye Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone CAS Name: [(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-(2,3-dimethyl-1H-indol-5-yl)methanone IUPAC Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone Traditional Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-(2,3-dimethyl-1H-indol-5-yl)methanone Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCCC3C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCC[C@H]3C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C22H21N3OS/c1-13-14(2)23-17-10-9-15(12-16(13)17)22(26)25-11-5-7-19(25)21-24-18-6-3-4-8-20(18)27-21/h3-4,6,8-10,12,19,23H,5,7,11H2,1-2H3/t19-/m0/s1