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

Systemtic Name: methyl (2S)-3-phenyl-2-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]amino]propionic acid methyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H22N4O3S/c1-3-7-14-19-20-17(25)21(14)11-15(22)18-13(16(23)24-2)10-12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11H2,1-2H3,(H,18,22)(H,20,25)/t13-/m0/s1