ethyl 5-(4-bromophenyl)carbonyl-2-[2-[(phenylmethyl)carbamoyl]phenyl]sulfanyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(4-bromophenyl)carbonyl-2-[2-[(phenylmethyl)carbamoyl]phenyl]sulfanyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-[2-(benzylcarbamoyl)phenyl]sulfanyl-5-(4-bromobenzoyl)-1H-pyrrole-3-carboxylate CAS Name: 5-[(4-bromophenyl)-oxomethyl]-2-[[2-[oxo-[(phenylmethyl)amino]methyl]phenyl]thio]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(benzylcarbamoyl)phenyl]sulfanyl-5-(4-bromobenzoyl)-1H-pyrrole-3-carboxylate Traditional Name: 2-[[2-(benzylcarbamoyl)phenyl]thio]-5-(4-bromobenzoyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C28H23BrN2O4S MolecularWeight: 563.46222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1)C(=O)C2=CC=C(C=C2)Br)SC3=CC=CC=C3C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1)C(=O)C2=CC=C(C=C2)Br)SC3=CC=CC=C3C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H23BrN2O4S/c1-2-35-28(34)22-16-23(25(32)19-12-14-20(29)15-13-19)31-27(22)36-24-11-7-6-10-21(24)26(33)30-17-18-8-4-3-5-9-18/h3-16,31H,2,17H2,1H3,(H,30,33)