dimethyl 2-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-[(1-phenethyl-2-benzimidazolyl)thio]ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(1-phenethylbenzimidazol-2-yl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O5S/c1-34-25(32)19-12-13-20(26(33)35-2)22(16-19)28-24(31)17-36-27-29-21-10-6-7-11-23(21)30(27)15-14-18-8-4-3-5-9-18/h3-13,16H,14-15,17H2,1-2H3,(H,28,31)