2-(2-cyanoethanoylamino)-4-[4-(2-methyl-2-oxidanyl-propoxy)phenyl]thiophene-3-carboxylic acid

Systemtic Name: 2-(2-cyanoethanoylamino)-4-[4-(2-methyl-2-oxidanyl-propoxy)phenyl]thiophene-3-carboxylic acid Openeye Name: 2-[(2-cyanoacetyl)amino]-4-[4-(2-hydroxy-2-methyl-propoxy)phenyl]thiophene-3-carboxylic acid CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-4-[4-(2-hydroxy-2-methylpropoxy)phenyl]-3-thiophenecarboxylic acid IUPAC Name: 2-[(2-cyanoacetyl)amino]-4-[4-(2-hydroxy-2-methylpropoxy)phenyl]thiophene-3-carboxylic acid Traditional Name: 2-[(2-cyanoacetyl)amino]-4-[4-(2-hydroxy-2-methyl-propoxy)phenyl]-3-thenoic acid Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S/c1-18(2,24)10-25-12-5-3-11(4-6-12)13-9-26-16(15(13)17(22)23)20-14(21)7-8-19/h3-6,9,24H,7,10H2,1-2H3,(H,20,21)(H,22,23)