2-(2-cyanoethanoylamino)-5-methyl-4-(4-prop-2-enoxyphenyl)thiophene-3-carboxylic acid

Systemtic Name: 2-(2-cyanoethanoylamino)-5-methyl-4-(4-prop-2-enoxyphenyl)thiophene-3-carboxylic acid Openeye Name: 4-(4-allyloxyphenyl)-2-[(2-cyanoacetyl)amino]-5-methyl-thiophene-3-carboxylic acid CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-5-methyl-4-(4-prop-2-enoxyphenyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[(2-cyanoacetyl)amino]-5-methyl-4-(4-prop-2-enoxyphenyl)thiophene-3-carboxylic acid Traditional Name: 4-(4-allyloxyphenyl)-2-[(2-cyanoacetyl)amino]-5-methyl-3-thenoic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CC#N)C(=O)O)C2=CC=C(C=C2)OCC=C

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CC#N)C(=O)O)C2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C18H16N2O4S/c1-3-10-24-13-6-4-12(5-7-13)15-11(2)25-17(16(15)18(22)23)20-14(21)8-9-19/h3-7H,1,8,10H2,2H3,(H,20,21)(H,22,23)