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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-1H-pyrrole-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]thio]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-1H-pyrrole-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-keto-2-(veratrylamino)ethyl]thio]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C24H25BrN2O5S MolecularWeight: 533.4347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrN2O5S/c1-4-32-24(29)22-18(16-6-8-17(25)9-7-16)13-27-23(22)33-14-21(28)26-12-15-5-10-19(30-2)20(11-15)31-3/h5-11,13,27H,4,12,14H2,1-3H3,(H,26,28)