3-ethylsulfanyl-2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-ethylsulfanyl-2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-ethylsulfanyl-2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-(ethylthio)-2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-ethylsulfanyl-2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-(ethylthio)-2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C26H25NO5S2 MolecularWeight: 495.6104

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1=CC=CC=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)OC

Isomeric SMILES

CCSC(C1=CC=CC=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H25NO5S2/c1-3-33-25(21-7-5-4-6-8-21)24(26(28)29)27-34(30,31)23-17-13-20(14-18-23)10-9-19-11-15-22(32-2)16-12-19/h4-8,11-18,24-25,27H,3H2,1-2H3,(H,28,29)