ethyl 4-(4-bromophenyl)-2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]sulfanyl-1H-pyrrole-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]thio]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]sulfanyl-1H-pyrrole-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-keto-1-methyl-2-(veratrylamino)ethyl]thio]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H27BrN2O5S MolecularWeight: 547.46128

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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(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H27BrN2O5S/c1-5-33-25(30)22-19(17-7-9-18(26)10-8-17)14-28-24(22)34-15(2)23(29)27-13-16-6-11-20(31-3)21(12-16)32-4/h6-12,14-15,28H,5,13H2,1-4H3,(H,27,29)