(E)-4-azanyl-3-methyl-4-oxidanylidene-2-[2-(phenylcarbonylsulfanyl)ethanoylamino]but-2-enoic acid

Systemtic Name: (E)-4-azanyl-3-methyl-4-oxidanylidene-2-[2-(phenylcarbonylsulfanyl)ethanoylamino]but-2-enoic acid Openeye Name: (E)-4-amino-2-[(2-benzoylsulfanylacetyl)amino]-3-methyl-4-oxo-but-2-enoic acid CAS Name: (E)-4-amino-2-[[2-(benzoylthio)-1-oxoethyl]amino]-3-methyl-4-oxo-2-butenoic acid IUPAC Name: (E)-4-amino-2-[(2-benzoylsulfanylacetyl)amino]-3-methyl-4-oxobut-2-enoic acid Traditional Name: (E)-4-amino-2-[[2-(benzoylthio)acetyl]amino]-4-keto-3-methyl-but-2-enoic acid Formula: C14H14N2O5S MolecularWeight: 322.33636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)O)NC(=O)CSC(=O)C1=CC=CC=C1)C(=O)N

Isomeric SMILES

C/C(=C(/C(=O)O)\NC(=O)CSC(=O)C1=CC=CC=C1)/C(=O)N

InChI

InChI=1S/C14H14N2O5S/c1-8(12(15)18)11(13(19)20)16-10(17)7-22-14(21)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,15,18)(H,16,17)(H,19,20)/b11-8+