2-[3-[methoxy(methyl)amino]-3-oxidanylidene-propyl]-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[3-[methoxy(methyl)amino]-3-oxidanylidene-propyl]-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[3-[methoxy(methyl)amino]-3-oxo-propyl]-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[3-[methoxy(methyl)amino]-3-oxopropyl]-4-[(4-methoxyphenyl)methylthio]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[3-[methoxy(methyl)amino]-3-oxopropyl]-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[3-keto-3-[methoxy(methyl)amino]propyl]-4-(p-anisylthio)pyrrolidine-1-carboxylic acid Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CCC1CC(CN1C(=O)O)SCC2=CC=C(C=C2)OC)OC

Isomeric SMILES

CN(C(=O)CCC1CC(CN1C(=O)O)SCC2=CC=C(C=C2)OC)OC

InChI

InChI=1S/C18H26N2O5S/c1-19(25-3)17(21)9-6-14-10-16(11-20(14)18(22)23)26-12-13-4-7-15(24-2)8-5-13/h4-5,7-8,14,16H,6,9-12H2,1-3H3,(H,22,23)