(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC(C2=CC=CC=C2)C(=O)N)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC(C2=CC=CC=C2)C(=O)N)C3=CC=CS3

InChI

InChI=1S/C18H18N4O3S2/c1-2-22-17(13-9-6-10-26-13)20-21-18(22)27-11-14(23)25-15(16(19)24)12-7-4-3-5-8-12/h3-10,15H,2,11H2,1H3,(H2,19,24)