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

Systemtic Name: 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]-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylic acid CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-4-[4-(2-hydroxy-2-prop-2-enylpent-4-enoxy)phenyl]-3-thiophenecarboxylic acid IUPAC Name: 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]-2-[(2-cyanoacetyl)amino]-3-thenoic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S/c1-3-10-22(28,11-4-2)14-29-16-7-5-15(6-8-16)17-13-30-20(19(17)21(26)27)24-18(25)9-12-23/h3-8,13,28H,1-2,9-11,14H2,(H,24,25)(H,26,27)