(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(2-thenyl)pyrrole-3-carboxylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OC(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OC(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C20H20N2O3S/c1-13-11-17(14(2)22(13)12-16-9-6-10-26-16)20(24)25-18(19(21)23)15-7-4-3-5-8-15/h3-11,18H,12H2,1-2H3,(H2,21,23)