[2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxidanylidene-ethyl] 2,5-dimethylthiophene-3-carboxylate

Systemtic Name: [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxidanylidene-ethyl] 2,5-dimethylthiophene-3-carboxylate Openeye Name: [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxo-ethyl] 2,5-dimethylthiophene-3-carboxylate CAS Name: 2,5-dimethyl-3-thiophenecarboxylic acid [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate Traditional Name: 2,5-dimethylthiophene-3-carboxylic acid [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-keto-ethyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)OCC(=O)C2=CC=C(C=C2)C(C)NC(=O)C

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)OCC(=O)C2=CC=C(C=C2)[C@H](C)NC(=O)C

InChI

InChI=1S/C19H21NO4S/c1-11-9-17(13(3)25-11)19(23)24-10-18(22)16-7-5-15(6-8-16)12(2)20-14(4)21/h5-9,12H,10H2,1-4H3,(H,20,21)/t12-/m0/s1