dimethyl 3-methyl-5-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(1-allylbenzimidazol-2-yl)thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3N2CC=C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3N2CC=C)C(=O)OC

InChI

InChI=1S/C21H21N3O5S2/c1-5-10-24-14-9-7-6-8-13(14)22-21(24)30-11-15(25)23-18-16(19(26)28-3)12(2)17(31-18)20(27)29-4/h5-9H,1,10-11H2,2-4H3,(H,23,25)