2-[3-[ethyl-(3-hydroxyphenyl)amino]-2-methyl-1-methylsulfanyl-3-oxidanylidene-propyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[3-[ethyl-(3-hydroxyphenyl)amino]-2-methyl-1-methylsulfanyl-3-oxidanylidene-propyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[3-(N-ethyl-3-hydroxy-anilino)-2-methyl-1-methylsulfanyl-3-oxo-propyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[3-(N-ethyl-3-hydroxyanilino)-2-methyl-1-(methylthio)-3-oxopropyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[3-(N-ethyl-3-hydroxyanilino)-2-methyl-1-methylsulfanyl-3-oxopropyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[3-(N-ethyl-3-hydroxy-anilino)-3-keto-2-methyl-1-(methylthio)propyl]pyrrolidine-1-carboxylic acid Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=CC=C1)O)C(=O)C(C)C(C2CCCN2C(=O)O)SC

Isomeric SMILES

CCN(C1=CC(=CC=C1)O)C(=O)C(C)C(C2CCCN2C(=O)O)SC

InChI

InChI=1S/C18H26N2O4S/c1-4-19(13-7-5-8-14(21)11-13)17(22)12(2)16(25-3)15-9-6-10-20(15)18(23)24/h5,7-8,11-12,15-16,21H,4,6,9-10H2,1-3H3,(H,23,24)