3-[[2-[(4-chlorophenyl)methylamino]-4-phenyl-1,3-thiazol-5-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[2-[(4-chlorophenyl)methylamino]-4-phenyl-1,3-thiazol-5-yl]sulfanyl]propanoic acid Openeye Name: 3-[2-[(4-chlorophenyl)methylamino]-4-phenyl-thiazol-5-yl]sulfanylpropanoic acid CAS Name: 3-[[2-[(4-chlorophenyl)methylamino]-4-phenyl-5-thiazolyl]thio]propanoic acid IUPAC Name: 3-[[2-[(4-chlorophenyl)methylamino]-4-phenyl-1,3-thiazol-5-yl]sulfanyl]propanoic acid Traditional Name: 3-[[2-[(4-chlorobenzyl)amino]-4-phenyl-thiazol-5-yl]thio]propionic acid Formula: C19H17ClN2O2S2 MolecularWeight: 404.93348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC(=N2)NCC3=CC=C(C=C3)Cl)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC(=N2)NCC3=CC=C(C=C3)Cl)SCCC(=O)O

InChI

InChI=1S/C19H17ClN2O2S2/c20-15-8-6-13(7-9-15)12-21-19-22-17(14-4-2-1-3-5-14)18(26-19)25-11-10-16(23)24/h1-9H,10-12H2,(H,21,22)(H,23,24)