(2S)-1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanyl-propanoyl]-4-phenyl-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: (2S)-1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanyl-propanoyl]-4-phenyl-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanyl-propanoyl]-4-phenyl-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-1-[3-[(4-methoxyphenyl)methylthio]-2-(methylthio)-1-oxopropyl]-4-phenyl-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanylpropanoyl]-4-phenyl-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-1-[2-(methylthio)-3-(p-anisylthio)propanoyl]-4-phenyl-3-pyrroline-2-carboxylic acid Formula: C23H25NO4S2 MolecularWeight: 443.5789

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSCC(C(=O)N2CC(=CC2C(=O)O)C3=CC=CC=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)CSCC(C(=O)N2CC(=C[C@H]2C(=O)O)C3=CC=CC=C3)SC

InChI

InChI=1S/C23H25NO4S2/c1-28-19-10-8-16(9-11-19)14-30-15-21(29-2)22(25)24-13-18(12-20(24)23(26)27)17-6-4-3-5-7-17/h3-12,20-21H,13-15H2,1-2H3,(H,26,27)/t20-,21?/m0/s1