(E)-3-[4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]phenyl]acrylic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)NC(=O)CCSCC(=O)N

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)O)NC(=O)CCSCC(=O)N

InChI

InChI=1S/C14H16N2O4S/c15-12(17)9-21-8-7-13(18)16-11-4-1-10(2-5-11)3-6-14(19)20/h1-6H,7-9H2,(H2,15,17)(H,16,18)(H,19,20)/b6-3+