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

Systemtic Name: methyl 2-[[5-(4-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate Openeye Name: methyl 2-[[5-(4-ethoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methylamino]benzoate CAS Name: 2-[[5-(4-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-(4-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate Traditional Name: 2-[(5-p-phenetyl-2-thioxo-1,3,4-oxadiazol-3-yl)methylamino]benzoic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=S)O2)CNC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=S)O2)CNC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C19H19N3O4S/c1-3-25-14-10-8-13(9-11-14)17-21-22(19(27)26-17)12-20-16-7-5-4-6-15(16)18(23)24-2/h4-11,20H,3,12H2,1-2H3