(E)-3-[4-(2-propan-2-ylsulfanylethanoylamino)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-propan-2-ylsulfanylethanoylamino)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(2-isopropylsulfanylacetyl)amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(2-propan-2-ylsulfanylacetyl)amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[2-(isopropylthio)acetyl]amino]phenyl]acrylic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)NC1=CC=C(C=C1)C=CC(=O)O

Isomeric SMILES

CC(C)SCC(=O)NC1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C14H17NO3S/c1-10(2)19-9-13(16)15-12-6-3-11(4-7-12)5-8-14(17)18/h3-8,10H,9H2,1-2H3,(H,15,16)(H,17,18)/b8-5+