2-(3-azanyl-1-thiophen-3-yl-propoxy)-2-oxidanylidene-ethanoic acid; 4-chloranyl-3-fluoranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 2-(3-azanyl-1-thiophen-3-yl-propoxy)-2-oxidanylidene-ethanoic acid; 4-chloranyl-3-fluoranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 2-[3-amino-1-(3-thienyl)propoxy]-2-oxo-acetic acid; 4-chloro-3-fluoro-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 2-[3-amino-1-(3-thiophenyl)propoxy]-2-oxoacetic acid; 4-chloro-3-fluoro-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 2-(3-amino-1-thiophen-3-ylpropoxy)-2-oxoacetic acid; 4-chloro-3-fluoro-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 2-[3-amino-1-(3-thienyl)propoxy]-2-keto-acetic acid; 4-chloro-3-fluoro-6-keto-cyclohexa-1,3-diene-1-carbonitrile Formula: C16H14ClFN2O5S MolecularWeight: 400.809163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C=C(C1=O)C#N)F)Cl.C1=CSC=C1C(CCN)OC(=O)C(=O)O

Isomeric SMILES

C1C(=C(C=C(C1=O)C#N)F)Cl.C1=CSC=C1C(CCN)OC(=O)C(=O)O

InChI

InChI=1S/C9H11NO4S.C7H3ClFNO/c10-3-1-7(6-2-4-15-5-6)14-9(13)8(11)12;8-5-2-7(11)4(3-10)1-6(5)9/h2,4-5,7H,1,3,10H2,(H,11,12);1H,2H2