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

Systemtic Name: 2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(E)-3-(4-cyanophenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[(E)-3-(4-cyanophenyl)acryloyl]amino]-4-(methylthio)butyric acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C=CC1=CC=C(C=C1)C#N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)/C=C/C1=CC=C(C=C1)C#N

InChI

InChI=1S/C15H16N2O3S/c1-21-9-8-13(15(19)20)17-14(18)7-6-11-2-4-12(10-16)5-3-11/h2-7,13H,8-9H2,1H3,(H,17,18)(H,19,20)/b7-6+