diethyl 3-methyl-5-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC=CN2C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC=CN2C

InChI

InChI=1S/C17H21N3O5S2/c1-5-24-15(22)12-10(3)13(16(23)25-6-2)27-14(12)19-11(21)9-26-17-18-7-8-20(17)4/h7-8H,5-6,9H2,1-4H3,(H,19,21)