propan-2-yl 4-chloranyl-3-[2-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-chloranyl-3-[2-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-4-chloro-benzoate CAS Name: 4-chloro-3-[[1-oxo-2-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]ethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-4-chlorobenzoate Traditional Name: 3-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)thio]acetyl]amino]-4-chloro-benzoic acid isopropyl ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O4S/c1-13(2)28-20(27)15-8-9-16(22)17(11-15)23-18(26)12-30-21-25-24-19(29-21)10-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,23,26)