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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl]sulfanyl-1H-pyrrole-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]thio]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]sulfanyl-1H-pyrrole-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-keto-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-ethyl]thio]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H27BrN2O4S MolecularWeight: 531.46188

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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)NCCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(NC=C1C2=CC=C(C=C2)Br)SC(C)C(=O)NCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H27BrN2O4S/c1-4-32-25(30)22-21(18-7-9-19(26)10-8-18)15-28-24(22)33-16(2)23(29)27-14-13-17-5-11-20(31-3)12-6-17/h5-12,15-16,28H,4,13-14H2,1-3H3,(H,27,29)