ethyl 2-[2-[[4-(4-bromophenyl)-5-[(2-phenoxyethanoylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[4-(4-bromophenyl)-5-[(2-phenoxyethanoylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-(4-bromophenyl)-5-[[(2-phenoxyacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[4-(4-bromophenyl)-5-[[(1-oxo-2-phenoxyethyl)amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[4-(4-bromophenyl)-5-[[(2-phenoxyacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[4-(4-bromophenyl)-5-[[(2-phenoxyacetyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C30H30BrN5O5S2 MolecularWeight: 684.6237

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Br)CNC(=O)COC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Br)CNC(=O)COC5=CC=CC=C5

InChI

InChI=1S/C30H30BrN5O5S2/c1-2-40-29(39)27-22-10-6-7-11-23(22)43-28(27)33-26(38)18-42-30-35-34-24(36(30)20-14-12-19(31)13-15-20)16-32-25(37)17-41-21-8-4-3-5-9-21/h3-5,8-9,12-15H,2,6-7,10-11,16-18H2,1H3,(H,32,37)(H,33,38)