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

Systemtic Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione Openeye Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione CAS Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-(4-ethoxyphenyl)butane-1,4-dione IUPAC Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione Traditional Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-p-phenetyl-butane-1,4-dione Formula: C23H24N2O3S MolecularWeight: 408.51326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H24N2O3S/c1-2-28-17-11-9-16(10-12-17)20(26)13-14-22(27)25-15-5-7-19(25)23-24-18-6-3-4-8-21(18)29-23/h3-4,6,8-12,19H,2,5,7,13-15H2,1H3/t19-/m0/s1