ethyl 1-[3-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-2-oxidanyl-propyl]-4-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[3-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-2-oxidanyl-propyl]-4-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[3-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-2-hydroxy-propyl]-4-phenyl-pyrrole-3-carboxylate CAS Name: 1-[3-[[2-[(tert-butylamino)-oxomethyl]phenyl]thio]-2-hydroxypropyl]-4-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-2-hydroxypropyl]-4-phenylpyrrole-3-carboxylate Traditional Name: 1-[3-[[2-(tert-butylcarbamoyl)phenyl]thio]-2-hydroxy-propyl]-4-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C27H32N2O4S MolecularWeight: 480.61898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C1C2=CC=CC=C2)CC(CSC3=CC=CC=C3C(=O)NC(C)(C)C)O

Isomeric SMILES

CCOC(=O)C1=CN(C=C1C2=CC=CC=C2)CC(CSC3=CC=CC=C3C(=O)NC(C)(C)C)O

InChI

InChI=1S/C27H32N2O4S/c1-5-33-26(32)23-17-29(16-22(23)19-11-7-6-8-12-19)15-20(30)18-34-24-14-10-9-13-21(24)25(31)28-27(2,3)4/h6-14,16-17,20,30H,5,15,18H2,1-4H3,(H,28,31)