calcium 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate

Systemtic Name: calcium 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate Openeye Name: calcium 2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]benzoate CAS Name: calcium 2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]benzoate IUPAC Name: calcium 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate Traditional Name: calcium 2-[[(E)-3-(2-thienyl)acryloyl]amino]benzoate Formula: C14H10CaNO3S+ MolecularWeight: 312.3771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NC(=O)C=CC2=CC=CS2.[Ca+2]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])NC(=O)/C=C/C2=CC=CS2.[Ca+2]

InChI

InChI=1S/C14H11NO3S.Ca/c16-13(8-7-10-4-3-9-19-10)15-12-6-2-1-5-11(12)14(17)18;/h1-9H,(H,15,16)(H,17,18);/q;+2/p-1/b8-7+;