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

Systemtic Name: 5-chloranyl-2-[(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)amino]thiophene-3-carboxylic acid Openeye Name: 5-chloro-2-[(3-ethoxy-2-ethoxycarbonyl-3-oxo-prop-1-enyl)amino]thiophene-3-carboxylic acid CAS Name: 5-chloro-2-[(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 5-chloro-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]-5-chloro-3-thenoic acid Formula: C13H14ClNO6S MolecularWeight: 347.77136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=C(C=C(S1)Cl)C(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=C(C=C(S1)Cl)C(=O)O)C(=O)OCC

InChI

InChI=1S/C13H14ClNO6S/c1-3-20-12(18)8(13(19)21-4-2)6-15-10-7(11(16)17)5-9(14)22-10/h5-6,15H,3-4H2,1-2H3,(H,16,17)