5-chloranyl-2-(2-cyanoethanoylamino)-4-[4-(2-oxidanyl-2-prop-2-enyl-pent-4-enoxy)phenyl]thiophene-3-carboxylic acid

Systemtic Name: 5-chloranyl-2-(2-cyanoethanoylamino)-4-[4-(2-oxidanyl-2-prop-2-enyl-pent-4-enoxy)phenyl]thiophene-3-carboxylic acid Openeye Name: 4-[4-(2-allyl-2-hydroxy-pent-4-enoxy)phenyl]-5-chloro-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylic acid CAS Name: 5-chloro-2-[(2-cyano-1-oxoethyl)amino]-4-[4-(2-hydroxy-2-prop-2-enylpent-4-enoxy)phenyl]-3-thiophenecarboxylic acid IUPAC Name: 5-chloro-2-[(2-cyanoacetyl)amino]-4-[4-(2-hydroxy-2-prop-2-enylpent-4-enoxy)phenyl]thiophene-3-carboxylic acid Traditional Name: 4-[4-(2-allyl-2-hydroxy-pent-4-enoxy)phenyl]-5-chloro-2-[(2-cyanoacetyl)amino]-3-thenoic acid Formula: C22H21ClN2O5S MolecularWeight: 460.93054

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(COC1=CC=C(C=C1)C2=C(SC(=C2C(=O)O)NC(=O)CC#N)Cl)O

Isomeric SMILES

C=CCC(CC=C)(COC1=CC=C(C=C1)C2=C(SC(=C2C(=O)O)NC(=O)CC#N)Cl)O

InChI

InChI=1S/C22H21ClN2O5S/c1-3-10-22(29,11-4-2)13-30-15-7-5-14(6-8-15)17-18(21(27)28)20(31-19(17)23)25-16(26)9-12-24/h3-8,29H,1-2,9-11,13H2,(H,25,26)(H,27,28)