2-[(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)amino]thiophene-3-carboxylic acid

Systemtic Name: 2-[(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)amino]thiophene-3-carboxylic acid Openeye Name: 2-[(3-ethoxy-2-ethoxycarbonyl-3-oxo-prop-1-enyl)amino]thiophene-3-carboxylic acid CAS Name: 2-[(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 2-[(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)amino]thiophene-3-carboxylic acid Traditional Name: 2-[(2-carbethoxy-3-ethoxy-3-keto-prop-1-enyl)amino]-3-thenoic acid Formula: C13H15NO6S MolecularWeight: 313.3263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=C(C=CS1)C(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=C(C=CS1)C(=O)O)C(=O)OCC

InChI

InChI=1S/C13H15NO6S/c1-3-19-12(17)9(13(18)20-4-2)7-14-10-8(11(15)16)5-6-21-10/h5-7,14H,3-4H2,1-2H3,(H,15,16)