ethyl 4-[[5-(4-tert-butylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate

Systemtic Name: ethyl 4-[[5-(4-tert-butylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate Openeye Name: ethyl 4-[[5-(4-tert-butylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methylamino]benzoate CAS Name: 4-[[5-(4-tert-butylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-tert-butylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate Traditional Name: 4-[[5-(4-tert-butylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methylamino]benzoic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H25N3O3S/c1-5-27-20(26)16-8-12-18(13-9-16)23-14-25-21(29)28-19(24-25)15-6-10-17(11-7-15)22(2,3)4/h6-13,23H,5,14H2,1-4H3