[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-bromanyl-4-methoxy-phenyl)methanone

Systemtic Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-bromanyl-4-methoxy-phenyl)methanone Openeye Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-bromo-4-methoxy-phenyl)methanone CAS Name: [(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-(3-bromo-4-methoxyphenyl)methanone IUPAC Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-bromo-4-methoxyphenyl)methanone Traditional Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-(3-bromo-4-methoxy-phenyl)methanone Formula: C19H17BrN2O2S MolecularWeight: 417.31948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C19H17BrN2O2S/c1-24-16-9-8-12(11-13(16)20)19(23)22-10-4-6-15(22)18-21-14-5-2-3-7-17(14)25-18/h2-3,5,7-9,11,15H,4,6,10H2,1H3/t15-/m0/s1