1-[1-[2-(1-benzofuran-2-yl)ethanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbothioic S-acid

Systemtic Name: 1-[1-[2-(1-benzofuran-2-yl)ethanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbothioic S-acid Openeye Name: 1-[1-[2-(benzofuran-2-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbothioic S-acid CAS Name: 1-[[1-[2-(2-benzofuranyl)-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarbothioic S-acid IUPAC Name: 1-[1-[2-(1-benzofuran-2-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbothioic S-acid Traditional Name: 1-[1-[2-(benzofuran-2-yl)acetyl]prolyl]pyrrolidine-2-carbothioic S-acid Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC2=CC3=CC=CC=C3O2)C(=O)N4CCCC4C(=O)S

Isomeric SMILES

C1CC(N(C1)C(=O)CC2=CC3=CC=CC=C3O2)C(=O)N4CCCC4C(=O)S

InChI

InChI=1S/C20H22N2O4S/c23-18(12-14-11-13-5-1-2-8-17(13)26-14)21-9-3-6-15(21)19(24)22-10-4-7-16(22)20(25)27/h1-2,5,8,11,15-16H,3-4,6-7,9-10,12H2,(H,25,27)