(E)-3-ethoxycarbonyl-4-(5-thiophen-2-yl-1H-pyrazol-4-yl)but-3-enoic acid

Systemtic Name: (E)-3-ethoxycarbonyl-4-(5-thiophen-2-yl-1H-pyrazol-4-yl)but-3-enoic acid Openeye Name: (E)-3-ethoxycarbonyl-4-[5-(2-thienyl)-1H-pyrazol-4-yl]but-3-enoic acid CAS Name: (E)-3-ethoxycarbonyl-4-(5-thiophen-2-yl-1H-pyrazol-4-yl)-3-butenoic acid IUPAC Name: (E)-3-ethoxycarbonyl-4-(5-thiophen-2-yl-1H-pyrazol-4-yl)but-3-enoic acid Traditional Name: (E)-3-carbethoxy-4-[5-(2-thienyl)-1H-pyrazol-4-yl]but-3-enoic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(NN=C1)C2=CC=CS2)CC(=O)O

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(NN=C1)C2=CC=CS2)/CC(=O)O

InChI

InChI=1S/C14H14N2O4S/c1-2-20-14(19)9(7-12(17)18)6-10-8-15-16-13(10)11-4-3-5-21-11/h3-6,8H,2,7H2,1H3,(H,15,16)(H,17,18)/b9-6+