3-[2-(1-benzofuran-2-yl)ethanoyl]-1-pyrrolidin-2-ylcarbonyl-4-sulfanylidene-pyrrolidine-2-carbonitrile

Systemtic Name: 3-[2-(1-benzofuran-2-yl)ethanoyl]-1-pyrrolidin-2-ylcarbonyl-4-sulfanylidene-pyrrolidine-2-carbonitrile Openeye Name: 3-[2-(benzofuran-2-yl)acetyl]-1-(pyrrolidine-2-carbonyl)-4-thioxo-pyrrolidine-2-carbonitrile CAS Name: 3-[2-(2-benzofuranyl)-1-oxoethyl]-1-[oxo(2-pyrrolidinyl)methyl]-4-sulfanylidene-2-pyrrolidinecarbonitrile IUPAC Name: 3-[2-(1-benzofuran-2-yl)acetyl]-1-(pyrrolidine-2-carbonyl)-4-sulfanylidenepyrrolidine-2-carbonitrile Traditional Name: 3-[2-(benzofuran-2-yl)acetyl]-1-prolyl-4-thioxo-pyrrolidine-2-carbonitrile Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CC(=S)C(C2C#N)C(=O)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CC(NC1)C(=O)N2CC(=S)C(C2C#N)C(=O)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H19N3O3S/c21-10-15-19(18(27)11-23(15)20(25)14-5-3-7-22-14)16(24)9-13-8-12-4-1-2-6-17(12)26-13/h1-2,4,6,8,14-15,19,22H,3,5,7,9,11H2