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

Systemtic Name: (E)-3-[4-(2-butylsulfanylethanoylamino)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(2-butylsulfanylacetyl)amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[2-(butylthio)-1-oxoethyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(2-butylsulfanylacetyl)amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[2-(butylthio)acetyl]amino]phenyl]acrylic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3S/c1-2-3-10-20-11-14(17)16-13-7-4-12(5-8-13)6-9-15(18)19/h4-9H,2-3,10-11H2,1H3,(H,16,17)(H,18,19)/b9-6+