methyl 5-[(4-methoxyphenyl)methylcarbamoyl]-1-methylsulfonyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 5-[(4-methoxyphenyl)methylcarbamoyl]-1-methylsulfonyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: methyl 5-[(4-methoxyphenyl)methylcarbamoyl]-1-methylsulfonyl-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 5-[[(4-methoxyphenyl)methylamino]-oxomethyl]-1-methylsulfonyl-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-methoxyphenyl)methylcarbamoyl]-1-methylsulfonyl-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 1-mesyl-5-(p-anisylcarbamoyl)-2-(2-thienyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C20H24N2O6S2 MolecularWeight: 452.54436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2CC(C(N2S(=O)(=O)C)C3=CC=CS3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2CC(C(N2S(=O)(=O)C)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C20H24N2O6S2/c1-27-14-8-6-13(7-9-14)12-21-19(23)16-11-15(20(24)28-2)18(17-5-4-10-29-17)22(16)30(3,25)26/h4-10,15-16,18H,11-12H2,1-3H3,(H,21,23)