2-[2-cyano-1-(ethylamino)-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl]sulfanyl-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-[2-cyano-1-(ethylamino)-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl]sulfanyl-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[2-cyano-1-(ethylamino)-3-oxo-3-pyrrolidin-1-yl-prop-1-enyl]sulfanyl-acetamide CAS Name: N-(3-acetylphenyl)-2-[[2-cyano-1-(ethylamino)-3-oxo-3-(1-pyrrolidinyl)prop-1-enyl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[2-cyano-1-(ethylamino)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]sulfanylacetamide Traditional Name: N-(3-acetylphenyl)-2-[[2-cyano-1-(ethylamino)-3-keto-3-pyrrolidino-prop-1-enyl]thio]acetamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=C(C#N)C(=O)N1CCCC1)SCC(=O)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CCNC(=C(C#N)C(=O)N1CCCC1)SCC(=O)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C20H24N4O3S/c1-3-22-19(17(12-21)20(27)24-9-4-5-10-24)28-13-18(26)23-16-8-6-7-15(11-16)14(2)25/h6-8,11,22H,3-5,9-10,13H2,1-2H3,(H,23,26)