S-(2-pyrrolidin-3-ylcarbonylpyrrolidin-1-yl) 2-(1-benzofuran-2-yl)ethanethioate

Systemtic Name: S-(2-pyrrolidin-3-ylcarbonylpyrrolidin-1-yl) 2-(1-benzofuran-2-yl)ethanethioate Openeye Name: S-[2-(pyrrolidine-3-carbonyl)pyrrolidin-1-yl] 2-(benzofuran-2-yl)ethanethioate CAS Name: 2-(2-benzofuranyl)ethanethioic acid S-[2-[oxo(3-pyrrolidinyl)methyl]-1-pyrrolidinyl] ester IUPAC Name: S-[2-(pyrrolidine-3-carbonyl)pyrrolidin-1-yl] 2-(1-benzofuran-2-yl)ethanethioate Traditional Name: 2-(benzofuran-2-yl)ethanethioic acid S-[2-(pyrrolidine-3-carbonyl)pyrrolidino] ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)SC(=O)CC2=CC3=CC=CC=C3O2)C(=O)C4CCNC4

Isomeric SMILES

C1CC(N(C1)SC(=O)CC2=CC3=CC=CC=C3O2)C(=O)C4CCNC4

InChI

InChI=1S/C19H22N2O3S/c22-18(11-15-10-13-4-1-2-6-17(13)24-15)25-21-9-3-5-16(21)19(23)14-7-8-20-12-14/h1-2,4,6,10,14,16,20H,3,5,7-9,11-12H2