5-chloranyl-2-(2-cyanoethanoylamino)-4-[4-[(1-oxidanylcyclopent-3-en-1-yl)methoxy]phenyl]thiophene-3-carboxylic acid

Systemtic Name: 5-chloranyl-2-(2-cyanoethanoylamino)-4-[4-[(1-oxidanylcyclopent-3-en-1-yl)methoxy]phenyl]thiophene-3-carboxylic acid Openeye Name: 5-chloro-2-[(2-cyanoacetyl)amino]-4-[4-[(1-hydroxycyclopent-3-en-1-yl)methoxy]phenyl]thiophene-3-carboxylic acid CAS Name: 5-chloro-2-[(2-cyano-1-oxoethyl)amino]-4-[4-[(1-hydroxy-1-cyclopent-3-enyl)methoxy]phenyl]-3-thiophenecarboxylic acid IUPAC Name: 5-chloro-2-[(2-cyanoacetyl)amino]-4-[4-[(1-hydroxycyclopent-3-en-1-yl)methoxy]phenyl]thiophene-3-carboxylic acid Traditional Name: 5-chloro-2-[(2-cyanoacetyl)amino]-4-[4-[(1-hydroxycyclopent-3-en-1-yl)methoxy]phenyl]-3-thenoic acid Formula: C20H17ClN2O5S MolecularWeight: 432.87738

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC1(COC2=CC=C(C=C2)C3=C(SC(=C3C(=O)O)NC(=O)CC#N)Cl)O

Isomeric SMILES

C1C=CCC1(COC2=CC=C(C=C2)C3=C(SC(=C3C(=O)O)NC(=O)CC#N)Cl)O

InChI

InChI=1S/C20H17ClN2O5S/c21-17-15(16(19(25)26)18(29-17)23-14(24)7-10-22)12-3-5-13(6-4-12)28-11-20(27)8-1-2-9-20/h1-6,27H,7-9,11H2,(H,23,24)(H,25,26)