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

Systemtic Name: 2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[(E)-3-(m-tolyl)prop-2-enoyl]amino]butanoic acid CAS Name: 2-[[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[(E)-3-(m-tolyl)acryloyl]amino]butyric acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-11-4-3-5-12(10-11)6-7-14(17)16-13(15(18)19)8-9-20-2/h3-7,10,13H,8-9H2,1-2H3,(H,16,17)(H,18,19)/b7-6+