4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H19N3O4S/c21-14(18-13-8-6-12(7-9-13)16(22)23)10-25-17-20-19-15(24-17)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,18,21)(H,22,23)