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

Systemtic Name: 2-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(E)-3-(3-cyanophenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[(E)-3-(3-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=CC(=C1)C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3S/c1-21-8-7-13(15(19)20)17-14(18)6-5-11-3-2-4-12(9-11)10-16/h2-6,9,13H,7-8H2,1H3,(H,17,18)(H,19,20)/b6-5+