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

Systemtic Name: ethyl 4-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methylamino]benzoate Openeye Name: ethyl 4-[(5-phenyl-2-thioxo-1,3,4-oxadiazol-3-yl)methylamino]benzoate CAS Name: 4-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methylamino]benzoate Traditional Name: 4-[(5-phenyl-2-thioxo-1,3,4-oxadiazol-3-yl)methylamino]benzoic acid ethyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-2-23-17(22)14-8-10-15(11-9-14)19-12-21-18(25)24-16(20-21)13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3