dimethyl 5-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(1-allylbenzimidazol-2-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CC=C)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CC=C)C(=O)OC

InChI

InChI=1S/C22H21N3O5S/c1-4-9-25-18-8-6-5-7-17(18)24-22(25)31-13-19(26)23-16-11-14(20(27)29-2)10-15(12-16)21(28)30-3/h4-8,10-12H,1,9,13H2,2-3H3,(H,23,26)