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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C/C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-3-12-4-6-13(7-5-12)8-9-15(18)17-14(16(19)20)10-11-21-2/h4-9,14H,3,10-11H2,1-2H3,(H,17,18)(H,19,20)/b9-8+