5-[(3-chloranyl-4-ethoxy-phenyl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[(3-chloranyl-4-ethoxy-phenyl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[(3-chloro-4-ethoxy-benzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[(3-chloro-4-ethoxyphenyl)-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[(3-chloro-4-ethoxybenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[(3-chloro-4-ethoxy-benzoyl)amino]-4-cyano-3-methyl-2-thenoic acid Formula: C16H13ClN2O4S MolecularWeight: 364.80342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)O)C)C#N)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)O)C)C#N)Cl

InChI

InChI=1S/C16H13ClN2O4S/c1-3-23-12-5-4-9(6-11(12)17)14(20)19-15-10(7-18)8(2)13(24-15)16(21)22/h4-6H,3H2,1-2H3,(H,19,20)(H,21,22)