N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[3-cyano-4,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-2-yl]acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-2-pyrrolyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]acetamide Traditional Name: 2-(benzylthio)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-2-yl]acetamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSCC2=CC=CC=C2)CC3CCCO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSCC2=CC=CC=C2)C[C@H]3CCCO3)C

InChI

InChI=1S/C21H25N3O2S/c1-15-16(2)24(12-18-9-6-10-26-18)21(19(15)11-22)23-20(25)14-27-13-17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-10,12-14H2,1-2H3,(H,23,25)/t18-/m1/s1