[(2S)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] (2S,3S)-1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: [(2S)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] (2S,3S)-1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-(2-naphthylamino)-2-oxo-ethyl] (2S,3S)-5-oxo-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: (2S,3S)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid [(2S)-1-(2-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S,3S)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: (2S,3S)-5-keto-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(2-naphthylamino)ethyl] ester Formula: C29H26N2O4S MolecularWeight: 498.59274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)OC(C)C(=O)NC3=CC4=CC=CC=C4C=C3)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@@H]([C@H](CC2=O)C(=O)O[C@@H](C)C(=O)NC3=CC4=CC=CC=C4C=C3)C5=CC=CS5

InChI

InChI=1S/C29H26N2O4S/c1-18-9-13-23(14-10-18)31-26(32)17-24(27(31)25-8-5-15-36-25)29(34)35-19(2)28(33)30-22-12-11-20-6-3-4-7-21(20)16-22/h3-16,19,24,27H,17H2,1-2H3,(H,30,33)/t19-,24-,27-/m0/s1