3-[3-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid

Systemtic Name: 3-[3-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid Openeye Name: 3-[3-[(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanoic acid CAS Name: 3-[3-[[(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid IUPAC Name: 3-[3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid Traditional Name: 3-[3-[[(1S)-2-keto-1-phenyl-2-piperidino-ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionic acid Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CCC(=O)O)C4=CC=CS4

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H](C2=CC=CC=C2)SC3=NN=C(N3CCC(=O)O)C4=CC=CS4

InChI

InChI=1S/C22H24N4O3S2/c27-18(28)11-14-26-20(17-10-7-15-30-17)23-24-22(26)31-19(16-8-3-1-4-9-16)21(29)25-12-5-2-6-13-25/h1,3-4,7-10,15,19H,2,5-6,11-14H2,(H,27,28)/t19-/m0/s1