3-[4-(4-methoxyphenyl)-2-(2-phenylsulfanylethanoylamino)-1,3-thiazol-5-yl]propanoic acid

Systemtic Name: 3-[4-(4-methoxyphenyl)-2-(2-phenylsulfanylethanoylamino)-1,3-thiazol-5-yl]propanoic acid Openeye Name: 3-[4-(4-methoxyphenyl)-2-[(2-phenylsulfanylacetyl)amino]thiazol-5-yl]propanoic acid CAS Name: 3-[4-(4-methoxyphenyl)-2-[[1-oxo-2-(phenylthio)ethyl]amino]-5-thiazolyl]propanoic acid IUPAC Name: 3-[4-(4-methoxyphenyl)-2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-5-yl]propanoic acid Traditional Name: 3-[4-(4-methoxyphenyl)-2-[[2-(phenylthio)acetyl]amino]thiazol-5-yl]propionic acid Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CSC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CSC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C21H20N2O4S2/c1-27-15-9-7-14(8-10-15)20-17(11-12-19(25)26)29-21(23-20)22-18(24)13-28-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,25,26)(H,22,23,24)