2-[2-[[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]-3-(2-methylphenyl)propanoic acid

Systemtic Name: 2-[2-[[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]-3-(2-methylphenyl)propanoic acid Openeye Name: 2-[[2-[[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-3-(o-tolyl)propanoic acid CAS Name: 2-[[2-[[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]thio]-1-oxoethyl]amino]-3-(2-methylphenyl)propanoic acid IUPAC Name: 2-[[2-[[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-3-(2-methylphenyl)propanoic acid Traditional Name: 2-[[2-[[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]-3-(o-tolyl)propionic acid Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(C(=O)O)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1CC(C(=O)O)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H18N4O4S/c1-13-4-2-3-5-16(13)10-17(20(27)28)23-18(26)12-30-21-25-24-19(29-21)15-8-6-14(11-22)7-9-15/h2-9,17H,10,12H2,1H3,(H,23,26)(H,27,28)