methyl 4-[[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[5-(3-isopropylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate CAS Name: 4-[oxo-[[5-[3-(propan-2-ylthio)phenyl]-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate Traditional Name: 4-[[5-[3-(isopropylthio)phenyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC(=C1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)SC1=CC=CC(=C1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19N3O4S/c1-12(2)28-16-6-4-5-15(11-16)18-22-23-20(27-18)21-17(24)13-7-9-14(10-8-13)19(25)26-3/h4-12H,1-3H3,(H,21,23,24)