methyl 4-[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[5-(2-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(2-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(2-naphthyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H17N3O4S/c1-28-21(27)15-8-10-18(11-9-15)23-19(26)13-30-22-25-24-20(29-22)17-7-6-14-4-2-3-5-16(14)12-17/h2-12H,13H2,1H3,(H,23,26)