methyl (2S)-3-phenyl-2-[2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]ethanoylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]acetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-[[2-(2-pyrrolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]acetyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)thio]acetyl]amino]propionic acid methyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NNC(=C3C=CC=N3)O2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NNC(=C3C=CC=N3)O2

InChI

InChI=1S/C18H18N4O4S/c1-25-17(24)14(10-12-6-3-2-4-7-12)20-15(23)11-27-18-22-21-16(26-18)13-8-5-9-19-13/h2-9,14,21H,10-11H2,1H3,(H,20,23)/t14-/m0/s1