1-(2-ethanoylsulfanylethanoyl)-4-(phenylmethyl)-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: 1-(2-ethanoylsulfanylethanoyl)-4-(phenylmethyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: 1-(2-acetylsulfanylacetyl)-4-benzyl-2,5-dihydropyrrole-2-carboxylic acid CAS Name: 1-[2-(acetylthio)-1-oxoethyl]-4-(phenylmethyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: 1-(2-acetylsulfanylacetyl)-4-benzyl-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: 1-[2-(acetylthio)acetyl]-4-benzyl-3-pyrroline-2-carboxylic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)N1CC(=CC1C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC(=O)N1CC(=CC1C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C16H17NO4S/c1-11(18)22-10-15(19)17-9-13(8-14(17)16(20)21)7-12-5-3-2-4-6-12/h2-6,8,14H,7,9-10H2,1H3,(H,20,21)