[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22N2O3S MolecularWeight: 346.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=C(C=CS2)N3C=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)OC(=O)C2=C(C=CS2)N3C=CC=C3

InChI

InChI=1S/C18H22N2O3S/c1-13(17(21)19-14-7-3-2-4-8-14)23-18(22)16-15(9-12-24-16)20-10-5-6-11-20/h5-6,9-14H,2-4,7-8H2,1H3,(H,19,21)/t13-/m0/s1