(5-methyl-2-oxidanyl-phenyl) 3-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate

Systemtic Name: (5-methyl-2-oxidanyl-phenyl) 3-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate Openeye Name: (2-hydroxy-5-methyl-phenyl) 3-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate CAS Name: 3-[(5-phenyl-1,3,4-thiadiazol-2-yl)thio]propanoic acid (2-hydroxy-5-methylphenyl) ester IUPAC Name: (2-hydroxy-5-methylphenyl) 3-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate Traditional Name: 3-[(5-phenyl-1,3,4-thiadiazol-2-yl)thio]propionic acid (2-hydroxy-5-methyl-phenyl) ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)OC(=O)CCSC2=NN=C(S2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)O)OC(=O)CCSC2=NN=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O3S2/c1-12-7-8-14(21)15(11-12)23-16(22)9-10-24-18-20-19-17(25-18)13-5-3-2-4-6-13/h2-8,11,21H,9-10H2,1H3