(2S)-N-[cyano-(3,4-dimethoxyphenyl)methyl]-1-(furan-2-ylmethylcarbamothioyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[cyano-(3,4-dimethoxyphenyl)methyl]-1-(furan-2-ylmethylcarbamothioyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[cyano-(3,4-dimethoxyphenyl)methyl]-1-(2-furylmethylcarbamothioyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[cyano-(3,4-dimethoxyphenyl)methyl]-1-[(2-furanylmethylamino)-sulfanylidenemethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[cyano-(3,4-dimethoxyphenyl)methyl]-1-(furan-2-ylmethylcarbamothioyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[cyano-(3,4-dimethoxyphenyl)methyl]-1-(2-furfurylthiocarbamoyl)pyrrolidine-2-carboxamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)NC(=O)C2CCCN2C(=S)NCC3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C#N)NC(=O)[C@@H]2CCCN2C(=S)NCC3=CC=CO3)OC

InChI

InChI=1S/C21H24N4O4S/c1-27-18-8-7-14(11-19(18)28-2)16(12-22)24-20(26)17-6-3-9-25(17)21(30)23-13-15-5-4-10-29-15/h4-5,7-8,10-11,16-17H,3,6,9,13H2,1-2H3,(H,23,30)(H,24,26)/t16?,17-/m0/s1