[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H19NO3S MolecularWeight: 317.40266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=C(C=CS1)C2=CC=C(C=C2)C

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=C(C=CS1)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H19NO3S/c1-4-18-16(19)12(3)21-17(20)15-14(9-10-22-15)13-7-5-11(2)6-8-13/h5-10,12H,4H2,1-3H3,(H,18,19)/t12-/m0/s1