(2S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-naphthalen-1-yl-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: (2S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-naphthalen-1-yl-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-(1-naphthyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-(1-naphthalenyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-naphthalen-1-yl-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-(1-naphthyl)-3-pyrroline-2-carboxylic acid Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC(=CC1C(=O)O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CC(=C[C@H]1C(=O)O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H21NO4S/c1-13(12-27-14(2)23)20(24)22-11-16(10-19(22)21(25)26)18-9-5-7-15-6-3-4-8-17(15)18/h3-10,13,19H,11-12H2,1-2H3,(H,25,26)/t13?,19-/m0/s1