2-[3-(2-hydroxyethylamino)-1-thiophen-3-yl-propoxy]-2-oxidanylidene-ethanoic acid; 6-oxidanylidenecyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 2-[3-(2-hydroxyethylamino)-1-thiophen-3-yl-propoxy]-2-oxidanylidene-ethanoic acid; 6-oxidanylidenecyclohexa-1,3-diene-1-carbonitrile Openeye Name: 2-[3-(2-hydroxyethylamino)-1-(3-thienyl)propoxy]-2-oxo-acetic acid; 6-oxocyclohexa-1,3-diene-1-carbonitrile CAS Name: 2-[3-(2-hydroxyethylamino)-1-(3-thiophenyl)propoxy]-2-oxoacetic acid; 6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 2-[3-(2-hydroxyethylamino)-1-thiophen-3-ylpropoxy]-2-oxoacetic acid; 6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 2-[3-(2-hydroxyethylamino)-1-(3-thienyl)propoxy]-2-keto-acetic acid; 6-ketocyclohexa-1,3-diene-1-carbonitrile Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(C1=O)C#N.C1=CSC=C1C(CCNCCO)OC(=O)C(=O)O

Isomeric SMILES

C1C=CC=C(C1=O)C#N.C1=CSC=C1C(CCNCCO)OC(=O)C(=O)O

InChI

InChI=1S/C11H15NO5S.C7H5NO/c13-5-4-12-3-1-9(8-2-6-18-7-8)17-11(16)10(14)15;8-5-6-3-1-2-4-7(6)9/h2,6-7,9,12-13H,1,3-5H2,(H,14,15);1-3H,4H2