4-[[(E)-2-chloranyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-(phenylcarbonyl)amino]-3-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 4-[[(E)-2-chloranyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-(phenylcarbonyl)amino]-3-phenyl-thiophene-2-carboxylic acid Openeye Name: 4-[benzoyl-[(E)-2-chloro-3-hydroxy-3-oxo-prop-1-enyl]amino]-3-phenyl-thiophene-2-carboxylic acid CAS Name: 4-[benzoyl-[(E)-2-chloro-3-hydroxy-3-oxoprop-1-enyl]amino]-3-phenyl-2-thiophenecarboxylic acid IUPAC Name: 4-[benzoyl-[(E)-2-chloro-3-hydroxy-3-oxoprop-1-enyl]amino]-3-phenylthiophene-2-carboxylic acid Traditional Name: 4-[benzoyl-[(E)-2-chloro-3-hydroxy-3-keto-prop-1-enyl]amino]-3-phenyl-2-thenoic acid Formula: C21H14ClNO5S MolecularWeight: 427.85756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC=C2N(C=C(C(=O)O)Cl)C(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC=C2N(/C=C(\C(=O)O)/Cl)C(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H14ClNO5S/c22-15(20(25)26)11-23(19(24)14-9-5-2-6-10-14)16-12-29-18(21(27)28)17(16)13-7-3-1-4-8-13/h1-12H,(H,25,26)(H,27,28)/b15-11+