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

Systemtic Name: methyl 4-[[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate CAS Name: 4-[[[5-[[4-(ethylthio)phenyl]methyl]-1,3,4-oxadiazol-2-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate Traditional Name: 4-[[5-[4-(ethylthio)benzyl]-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:

CCSC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCSC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19N3O4S/c1-3-28-16-10-4-13(5-11-16)12-17-22-23-20(27-17)21-18(24)14-6-8-15(9-7-14)19(25)26-2/h4-11H,3,12H2,1-2H3,(H,21,23,24)