1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-[4-(methylthio)phenyl]butane-1,4-dione IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-[4-(methylthio)phenyl]butane-1,4-dione Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O2S2/c1-27-16-10-8-15(9-11-16)19(25)12-13-21(26)24-14-4-6-18(24)22-23-17-5-2-3-7-20(17)28-22/h2-3,5,7-11,18H,4,6,12-14H2,1H3