2-methyl-2-[4-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)methoxycarbonyl]phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-methyl-2-[4-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)methoxycarbonyl]phenyl]sulfanyl-propanoic acid Openeye Name: 2-methyl-2-[4-[(5-methyl-2-phenyl-triazol-4-yl)methoxycarbonyl]phenyl]sulfanyl-propanoic acid CAS Name: 2-methyl-2-[[4-[(5-methyl-2-phenyl-4-triazolyl)methoxy-oxomethyl]phenyl]thio]propanoic acid IUPAC Name: 2-methyl-2-[4-[(5-methyl-2-phenyltriazol-4-yl)methoxycarbonyl]phenyl]sulfanylpropanoic acid Traditional Name: 2-methyl-2-[[4-[(5-methyl-2-phenyl-triazol-4-yl)methoxycarbonyl]phenyl]thio]propionic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1COC(=O)C2=CC=C(C=C2)SC(C)(C)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1COC(=O)C2=CC=C(C=C2)SC(C)(C)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-14-18(23-24(22-14)16-7-5-4-6-8-16)13-28-19(25)15-9-11-17(12-10-15)29-21(2,3)20(26)27/h4-12H,13H2,1-3H3,(H,26,27)