3-[[4-[(E)-3-(4-bromanylthiophen-2-yl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[(E)-3-(4-bromanylthiophen-2-yl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(E)-3-(4-bromo-2-thienyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[(E)-3-(4-bromo-2-thiophenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(E)-3-(4-bromothiophen-2-yl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(E)-3-(4-bromo-2-thienyl)acryloyl]phenyl]sulfonylamino]propionic acid Formula: C16H14BrNO5S2 MolecularWeight: 444.32006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C=CC2=CC(=CS2)Br)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)/C=C/C2=CC(=CS2)Br)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C16H14BrNO5S2/c17-12-9-13(24-10-12)3-6-15(19)11-1-4-14(5-2-11)25(22,23)18-8-7-16(20)21/h1-6,9-10,18H,7-8H2,(H,20,21)/b6-3+