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

Systemtic Name: ethyl 4-[[5-(4-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate Openeye Name: ethyl 4-[[5-(4-ethoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methylamino]benzoate CAS Name: 4-[[5-(4-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate Traditional Name: 4-[(5-p-phenetyl-2-thioxo-1,3,4-oxadiazol-3-yl)methylamino]benzoic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=S)O2)CNC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=S)O2)CNC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C20H21N3O4S/c1-3-25-17-11-7-14(8-12-17)18-22-23(20(28)27-18)13-21-16-9-5-15(6-10-16)19(24)26-4-2/h5-12,21H,3-4,13H2,1-2H3