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

Systemtic Name: 5-chloranyl-2-(2-cyanoethanoylamino)-4-[4-(2-methyl-2-oxidanyl-propoxy)phenyl]thiophene-3-carboxylic acid Openeye Name: 5-chloro-2-[(2-cyanoacetyl)amino]-4-[4-(2-hydroxy-2-methyl-propoxy)phenyl]thiophene-3-carboxylic acid CAS Name: 5-chloro-2-[(2-cyano-1-oxoethyl)amino]-4-[4-(2-hydroxy-2-methylpropoxy)phenyl]-3-thiophenecarboxylic acid IUPAC Name: 5-chloro-2-[(2-cyanoacetyl)amino]-4-[4-(2-hydroxy-2-methylpropoxy)phenyl]thiophene-3-carboxylic acid Traditional Name: 5-chloro-2-[(2-cyanoacetyl)amino]-4-[4-(2-hydroxy-2-methyl-propoxy)phenyl]-3-thenoic acid Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O5S/c1-18(2,25)9-26-11-5-3-10(4-6-11)13-14(17(23)24)16(27-15(13)19)21-12(22)7-8-20/h3-6,25H,7,9H2,1-2H3,(H,21,22)(H,23,24)