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

Systemtic Name: 1-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Openeye Name: 1-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(5-methyl-2-thienyl)butane-1,4-dione CAS Name: 1-[(2R)-2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]-4-(5-methyl-2-thiophenyl)butane-1,4-dione IUPAC Name: 1-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Traditional Name: 1-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidino]-4-(5-methyl-2-thienyl)butane-1,4-dione Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N2CCC[C@@H]2C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25NO4S/c1-14-6-10-20(27-14)17(23)8-11-21(24)22-12-4-5-16(22)15-7-9-18(25-2)19(13-15)26-3/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3/t16-/m1/s1