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

Systemtic Name: ethyl 4-[(2-sulfanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methylamino]benzoate Openeye Name: ethyl 4-[[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methylamino]benzoate CAS Name: 4-[(2-sulfanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-sulfanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methylamino]benzoate Traditional Name: 4-[[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methylamino]benzoic acid ethyl ester Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=CC=CS3

InChI

InChI=1S/C16H15N3O3S2/c1-2-21-15(20)11-5-7-12(8-6-11)17-10-19-16(23)22-14(18-19)13-4-3-9-24-13/h3-9,17H,2,10H2,1H3