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

Systemtic Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-propylphenyl)butane-1,4-dione Openeye Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-propylphenyl)butane-1,4-dione CAS Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-(4-propylphenyl)butane-1,4-dione IUPAC Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-propylphenyl)butane-1,4-dione Traditional Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-(4-propylphenyl)butane-1,4-dione Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H26N2O2S/c1-2-6-17-10-12-18(13-11-17)21(27)14-15-23(28)26-16-5-8-20(26)24-25-19-7-3-4-9-22(19)29-24/h3-4,7,9-13,20H,2,5-6,8,14-16H2,1H3/t20-/m0/s1