methyl (2S)-4-methylsulfanyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]amino]butyric acid methyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C=CC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)/C=C/C1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O3S/c1-24-18(23)16(10-11-25-2)20-17(22)9-8-14-12-19-21(13-14)15-6-4-3-5-7-15/h3-9,12-13,16H,10-11H2,1-2H3,(H,20,22)/b9-8+/t16-/m0/s1