(E)-4-[5-(4-oxidanylidenepyridin-1-yl)thiophen-2-yl]but-3-enoic acid

Systemtic Name: (E)-4-[5-(4-oxidanylidenepyridin-1-yl)thiophen-2-yl]but-3-enoic acid Openeye Name: (E)-4-[5-(4-oxo-1-pyridyl)-2-thienyl]but-3-enoic acid CAS Name: (E)-4-[5-(4-oxo-1-pyridinyl)-2-thiophenyl]-3-butenoic acid IUPAC Name: (E)-4-[5-(4-oxopyridin-1-yl)thiophen-2-yl]but-3-enoic acid Traditional Name: (E)-4-[5-(4-keto-1-pyridyl)-2-thienyl]but-3-enoic acid Formula: C13H11NO3S MolecularWeight: 261.29634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=CC1=O)C2=CC=C(S2)C=CCC(=O)O

Isomeric SMILES

C1=CN(C=CC1=O)C2=CC=C(S2)/C=C/CC(=O)O

InChI

InChI=1S/C13H11NO3S/c15-10-6-8-14(9-7-10)12-5-4-11(18-12)2-1-3-13(16)17/h1-2,4-9H,3H2,(H,16,17)/b2-1+