1-[(4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-methyl-2-thienyl)-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-methyl-2-thiophenyl)-(2,3,4-trimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-methyl-2-thienyl)-(2,3,4-trimethoxyphenyl)methyl]proline Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=C(C(=C(C=C2)OC)OC)OC)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=C(C(=C(C=C2)OC)OC)OC)N3CCCC3C(=O)O

InChI

InChI=1S/C20H25NO5S/c1-12-10-16(27-11-12)17(21-9-5-6-14(21)20(22)23)13-7-8-15(24-2)19(26-4)18(13)25-3/h7-8,10-11,14,17H,5-6,9H2,1-4H3,(H,22,23)