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

Systemtic Name: methyl (2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(E)-3-(2-furyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(E)-3-(2-furyl)acryloyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C=CC1=CC=CO1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)/C=C/C1=CC=CO1

InChI

InChI=1S/C13H17NO4S/c1-17-13(16)11(7-9-19-2)14-12(15)6-5-10-4-3-8-18-10/h3-6,8,11H,7,9H2,1-2H3,(H,14,15)/b6-5+/t11-/m0/s1