2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(E)-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[(E)-3-(2-methoxyphenyl)acryloyl]amino]-4-(methylthio)butyric acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C15H19NO4S/c1-20-13-6-4-3-5-11(13)7-8-14(17)16-12(15(18)19)9-10-21-2/h3-8,12H,9-10H2,1-2H3,(H,16,17)(H,18,19)/b8-7+