methyl 3-phenyl-2-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]propanoate

Systemtic Name: methyl 3-phenyl-2-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]propanoate Openeye Name: methyl 3-phenyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]propanoate CAS Name: 2-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-phenyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]propanoate Traditional Name: 3-phenyl-2-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]propionic acid methyl ester Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C19H19N5O3S/c1-27-18(26)16(12-14-8-4-2-5-9-14)20-17(25)13-28-19-21-22-23-24(19)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,20,25)