5-[5-[(E)-3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl]furan-2-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[5-[(E)-3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl]furan-2-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[5-[(E)-3-amino-2-cyano-3-thioxo-prop-1-enyl]-2-furyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[5-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]-2-furanyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[5-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]furan-2-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[5-[(E)-3-amino-2-cyano-3-thioxo-prop-1-enyl]-2-furyl]isophthalic acid Formula: C16H10N2O5S MolecularWeight: 342.326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C2=CC(=CC(=C2)C(=O)O)C(=O)O)C=C(C#N)C(=S)N

Isomeric SMILES

C1=C(OC(=C1)C2=CC(=CC(=C2)C(=O)O)C(=O)O)/C=C(\C#N)/C(=S)N

InChI

InChI=1S/C16H10N2O5S/c17-7-11(14(18)24)6-12-1-2-13(23-12)8-3-9(15(19)20)5-10(4-8)16(21)22/h1-6H,(H2,18,24)(H,19,20)(H,21,22)/b11-6+