2-[4-[[2-(2,5-diphenylpyrrolidin-1-yl)-2-oxidanylidene-ethyl]carbamoylamino]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[[2-(2,5-diphenylpyrrolidin-1-yl)-2-oxidanylidene-ethyl]carbamoylamino]phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[[2-(2,5-diphenylpyrrolidin-1-yl)-2-oxo-ethyl]carbamoylamino]phenyl]sulfanylacetic acid CAS Name: 2-[[4-[[[[2-(2,5-diphenyl-1-pyrrolidinyl)-2-oxoethyl]amino]-oxomethyl]amino]phenyl]thio]acetic acid IUPAC Name: 2-[4-[[2-(2,5-diphenylpyrrolidin-1-yl)-2-oxoethyl]carbamoylamino]phenyl]sulfanylacetic acid Traditional Name: 2-[[4-[[2-(2,5-diphenylpyrrolidino)-2-keto-ethyl]carbamoylamino]phenyl]thio]acetic acid Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)NC3=CC=C(C=C3)SCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)NC3=CC=C(C=C3)SCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4S/c31-25(17-28-27(34)29-21-11-13-22(14-12-21)35-18-26(32)33)30-23(19-7-3-1-4-8-19)15-16-24(30)20-9-5-2-6-10-20/h1-14,23-24H,15-18H2,(H,32,33)(H2,28,29,34)