methyl 4-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]methyl]benzoate CAS Name: 4-[[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NCC2=CC=C(C=C2)C(=O)OC)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NCC2=CC=C(C=C2)C(=O)OC)C3=CC=CS3

InChI

InChI=1S/C20H22N4O3S2/c1-4-24-17(16-6-5-11-28-16)22-23-20(24)29-13(2)18(25)21-12-14-7-9-15(10-8-14)19(26)27-3/h5-11,13H,4,12H2,1-3H3,(H,21,25)