2-[[3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[3-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[3-[(E)-3-[4-(methylthio)phenyl]acryloyl]phenyl]sulfonylamino]acetic acid Formula: C18H17NO5S2 MolecularWeight: 391.46128

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C18H17NO5S2/c1-25-15-8-5-13(6-9-15)7-10-17(20)14-3-2-4-16(11-14)26(23,24)19-12-18(21)22/h2-11,19H,12H2,1H3,(H,21,22)/b10-7+