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

Systemtic Name: [(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone Openeye Name: [(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone CAS Name: [(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-[2-methoxy-4-(methylthio)phenyl]methanone IUPAC Name: [(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone Traditional Name: [(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-[2-methoxy-4-(methylthio)phenyl]methanone Formula: C20H20N2O2S2 MolecularWeight: 384.515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O2S2/c1-24-17-12-13(25-2)9-10-14(17)20(23)22-11-5-7-16(22)19-21-15-6-3-4-8-18(15)26-19/h3-4,6,8-10,12,16H,5,7,11H2,1-2H3/t16-/m1/s1