methyl (2S)-3-phenyl-2-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanoylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]propionic acid methyl ester Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C18H18N4O3S2/c1-25-17(24)13(10-12-6-3-2-4-7-12)19-15(23)11-22-16(20-21-18(22)26)14-8-5-9-27-14/h2-9,13H,10-11H2,1H3,(H,19,23)(H,21,26)/t13-/m0/s1