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

Systemtic Name: 2-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[(E)-3-(2,4-dimethylphenyl)acryloyl]amino]-4-(methylthio)butyric acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3S/c1-11-4-5-13(12(2)10-11)6-7-15(18)17-14(16(19)20)8-9-21-3/h4-7,10,14H,8-9H2,1-3H3,(H,17,18)(H,19,20)/b7-6+