(phenylmethyl) 2-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]ethanoate Openeye Name: benzyl 2-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]acetate CAS Name: 2-[[1-oxo-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]acetate Traditional Name: 2-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]acetic acid benzyl ester Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C18H18N4O3S2/c23-15(19-11-16(24)25-12-13-5-2-1-3-6-13)8-9-22-17(20-21-18(22)26)14-7-4-10-27-14/h1-7,10H,8-9,11-12H2,(H,19,23)(H,21,26)