2-[[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(5-phenyl-2-thienyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-1-oxo-3-(5-phenyl-2-thiophenyl)prop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(5-phenyl-2-thienyl)acryloyl]amino]terephthalic acid Formula: C21H15NO5S MolecularWeight: 393.4125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(S2)C=CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(S2)/C=C/C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H15NO5S/c23-19(22-17-12-14(20(24)25)6-9-16(17)21(26)27)11-8-15-7-10-18(28-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)(H,24,25)(H,26,27)/b11-8+