[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethyl-5-methyl-thiophene-2-carboxylate

Systemtic Name: [(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethyl-5-methyl-thiophene-2-carboxylate Openeye Name: [(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-ethyl-5-methyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-methyl-2-thiophenecarboxylic acid [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-methyl-thiophene-2-carboxylic acid [(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)O[C@@H](C)C(=O)NC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C18H18N2O3S/c1-4-14-9-16(24-12(14)3)18(22)23-11(2)17(21)20-15-7-5-6-13(8-15)10-19/h5-9,11H,4H2,1-3H3,(H,20,21)/t11-/m0/s1