2-[[4-[2-(2-methoxy-5-thiophen-2-yl-phenyl)prop-2-enoyl]phenyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 2-[[4-[2-(2-methoxy-5-thiophen-2-yl-phenyl)prop-2-enoyl]phenyl]amino]pyridine-3-carboxylic acid Openeye Name: 2-[4-[2-[2-methoxy-5-(2-thienyl)phenyl]prop-2-enoyl]anilino]pyridine-3-carboxylic acid CAS Name: 2-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)-1-oxoprop-2-enyl]anilino]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]anilino]pyridine-3-carboxylic acid Traditional Name: 2-[4-[2-[2-methoxy-5-(2-thienyl)phenyl]acryloyl]anilino]nicotinic acid Formula: C26H20N2O4S MolecularWeight: 456.513

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)NC4=C(C=CC=N4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)NC4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C26H20N2O4S/c1-16(21-15-18(9-12-22(21)32-2)23-6-4-14-33-23)24(29)17-7-10-19(11-8-17)28-25-20(26(30)31)5-3-13-27-25/h3-15H,1H2,2H3,(H,27,28)(H,30,31)