3-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]-3-(4-propan-2-yloxyphenyl)propanoic acid

Systemtic Name: 3-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]-3-(4-propan-2-yloxyphenyl)propanoic acid Openeye Name: 3-(4-isopropoxyphenyl)-3-[(2-methoxy-4-methylsulfanyl-benzoyl)amino]propanoic acid CAS Name: 3-[[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid IUPAC Name: 3-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid Traditional Name: 3-(4-isopropoxyphenyl)-3-[[2-methoxy-4-(methylthio)benzoyl]amino]propionic acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=C(C=C(C=C2)SC)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=C(C=C(C=C2)SC)OC

InChI

InChI=1S/C21H25NO5S/c1-13(2)27-15-7-5-14(6-8-15)18(12-20(23)24)22-21(25)17-10-9-16(28-4)11-19(17)26-3/h5-11,13,18H,12H2,1-4H3,(H,22,25)(H,23,24)