[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethyl-4-methyl-thiophene-2-carboxylate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C18H18N2O3S/c1-4-15-11(2)9-16(24-15)18(22)23-12(3)17(21)20-14-7-5-13(10-19)6-8-14/h5-9,12H,4H2,1-3H3,(H,20,21)/t12-/m1/s1