2-[[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]sulfanylmethyl]-5-phenyl-pentanoic acid

Systemtic Name: 2-[[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]sulfanylmethyl]-5-phenyl-pentanoic acid Openeye Name: 2-[[4-(2-amino-2-oxo-ethoxy)phenyl]sulfanylmethyl]-5-phenyl-pentanoic acid CAS Name: 2-[[[4-(2-amino-2-oxoethoxy)phenyl]thio]methyl]-5-phenylpentanoic acid IUPAC Name: 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfanylmethyl]-5-phenylpentanoic acid Traditional Name: 2-[[[4-(2-amino-2-keto-ethoxy)phenyl]thio]methyl]-5-phenyl-valeric acid Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CSC2=CC=C(C=C2)OCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CSC2=CC=C(C=C2)OCC(=O)N)C(=O)O

InChI

InChI=1S/C20H23NO4S/c21-19(22)13-25-17-9-11-18(12-10-17)26-14-16(20(23)24)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,16H,4,7-8,13-14H2,(H2,21,22)(H,23,24)