3-ethylsulfanyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-ethylsulfanyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-ethylsulfanyl-2-[[5-(4-methoxyphenyl)-2-thienyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-(ethylthio)-2-[[5-(4-methoxyphenyl)-2-thiophenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-ethylsulfanyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-(ethylthio)-2-[[5-(4-methoxyphenyl)-2-thienyl]sulfonylamino]-3-phenyl-propionic acid Formula: C22H23NO5S3 MolecularWeight: 477.61672

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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(S2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCSC(C1=CC=CC=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(S2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23NO5S3/c1-3-29-21(16-7-5-4-6-8-16)20(22(24)25)23-31(26,27)19-14-13-18(30-19)15-9-11-17(28-2)12-10-15/h4-14,20-21,23H,3H2,1-2H3,(H,24,25)