methyl (2S)-4-methylsulfanyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[(E)-3-(2-thienyl)acryloyl]amino]butyric acid methyl ester Formula: C13H17NO3S2 MolecularWeight: 299.40898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C=CC1=CC=CS1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)/C=C/C1=CC=CS1

InChI

InChI=1S/C13H17NO3S2/c1-17-13(16)11(7-9-18-2)14-12(15)6-5-10-4-3-8-19-10/h3-6,8,11H,7,9H2,1-2H3,(H,14,15)/b6-5+/t11-/m0/s1