4-(3-cyano-4-ethoxy-pyridin-2-yl)sulfanyl-3-oxidanylidene-1-phenyl-but-1-en-1-olate

Systemtic Name: 4-(3-cyano-4-ethoxy-pyridin-2-yl)sulfanyl-3-oxidanylidene-1-phenyl-but-1-en-1-olate Openeye Name: 4-[(3-cyano-4-ethoxy-2-pyridyl)sulfanyl]-3-oxo-1-phenyl-but-1-en-1-olate CAS Name: 4-[(3-cyano-4-ethoxy-2-pyridinyl)thio]-3-oxo-1-phenyl-1-buten-1-olate IUPAC Name: 4-(3-cyano-4-ethoxypyridin-2-yl)sulfanyl-3-oxo-1-phenylbut-1-en-1-olate Traditional Name: 4-[(3-cyano-4-ethoxy-2-pyridyl)thio]-3-keto-1-phenyl-but-1-en-1-olate Formula: C18H15N2O3S- MolecularWeight: 339.3883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=NC=C1)SCC(=O)C=C(C2=CC=CC=C2)[O-])C#N

Isomeric SMILES

CCOC1=C(C(=NC=C1)SCC(=O)C=C(C2=CC=CC=C2)[O-])C#N

InChI

InChI=1S/C18H16N2O3S/c1-2-23-17-8-9-20-18(15(17)11-19)24-12-14(21)10-16(22)13-6-4-3-5-7-13/h3-10,22H,2,12H2,1H3/p-1