[(2S)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethanoylthiophene-2-carboxylate

Systemtic Name: [(2S)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethanoylthiophene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-(N-methylanilino)-2-oxo-ethyl] 5-acetylthiophene-2-carboxylate CAS Name: 5-acetyl-2-thiophenecarboxylic acid [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate Traditional Name: 5-acetylthiophene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(N-methylanilino)ethyl] ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)C2=CC=C(S2)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)N(C)C1=CC=CC=C1)OC(=O)C2=CC=C(S2)C(=O)C

InChI

InChI=1S/C17H17NO4S/c1-11(19)14-9-10-15(23-14)17(21)22-12(2)16(20)18(3)13-7-5-4-6-8-13/h4-10,12H,1-3H3/t12-/m0/s1