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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-4-(4-bromophenyl)-1H-pyrrole-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-(4-bromophenyl)-1H-pyrrole-3-carboxylate Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-4-(4-bromophenyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H21BrN2O3S MolecularWeight: 473.38274

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O3S/c1-2-28-22(27)20-18(16-8-10-17(23)11-9-16)13-25-21(20)29-14-19(26)24-12-15-6-4-3-5-7-15/h3-11,13,25H,2,12,14H2,1H3,(H,24,26)