[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: [2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxo-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid [2-(N-(1,1-dioxo-3-thiolanyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid [2-(N-(1,1-diketothiolan-3-yl)anilino)-2-keto-ethyl] ester Formula: C25H26N2O5S MolecularWeight: 466.54934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)N(C3CCS(=O)(=O)C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)N(C3CCS(=O)(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O5S/c1-18-15-23(19(2)26(18)20-9-5-3-6-10-20)25(29)32-16-24(28)27(21-11-7-4-8-12-21)22-13-14-33(30,31)17-22/h3-12,15,22H,13-14,16-17H2,1-2H3