ethyl 4-(4-bromophenyl)-2-[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]sulfanyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]sulfanyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-[2-(benzylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-(4-bromophenyl)-1H-pyrrole-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[1-oxo-1-[(phenylmethyl)amino]propan-2-yl]thio]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(benzylamino)-1-oxopropan-2-yl]sulfanyl-4-(4-bromophenyl)-1H-pyrrole-3-carboxylate Traditional Name: 2-[[2-(benzylamino)-2-keto-1-methyl-ethyl]thio]-4-(4-bromophenyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H23BrN2O3S MolecularWeight: 487.40932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC=C1C2=CC=C(C=C2)Br)SC(C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC=C1C2=CC=C(C=C2)Br)SC(C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H23BrN2O3S/c1-3-29-23(28)20-19(17-9-11-18(24)12-10-17)14-26-22(20)30-15(2)21(27)25-13-16-7-5-4-6-8-16/h4-12,14-15,26H,3,13H2,1-2H3,(H,25,27)