1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione

Systemtic Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione Openeye Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(2,5-dimethyl-3-thienyl)butane-1,4-dione CAS Name: 1-[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-4-(2,5-dimethyl-3-thiophenyl)butane-1,4-dione IUPAC Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione Traditional Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidino]-4-(2,5-dimethyl-3-thienyl)butane-1,4-dione Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCCC2C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCCC2C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C22H27NO4S/c1-14-12-18(15(2)28-14)20(24)9-10-22(25)23-11-5-6-19(23)17-8-7-16(26-3)13-21(17)27-4/h7-8,12-13,19H,5-6,9-11H2,1-4H3