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

Systemtic Name: 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(E)-3-(3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[(E)-3-(3-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(=C1)C=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/c1-20-12-5-3-4-11(10-12)6-7-14(17)16-13(15(18)19)8-9-21-2/h3-7,10,13H,8-9H2,1-2H3,(H,16,17)(H,18,19)/b7-6+