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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(E)-1-oxo-3-(3-phenoxyphenyl)prop-2-enyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[(E)-3-(3-phenoxyphenyl)acryloyl]amino]butyric acid methyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C=CC1=CC(=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)/C=C/C1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C21H23NO4S/c1-25-21(24)19(13-14-27-2)22-20(23)12-11-16-7-6-10-18(15-16)26-17-8-4-3-5-9-17/h3-12,15,19H,13-14H2,1-2H3,(H,22,23)/b12-11+/t19-/m0/s1