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

Systemtic Name: diethyl 3-methyl-5-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-[(1-methyl-2-imidazolyl)thio]-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-[(1-methylimidazol-2-yl)thio]propanoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H23N3O5S2 MolecularWeight: 425.52232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=NC=CN2C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=NC=CN2C

InChI

InChI=1S/C18H23N3O5S2/c1-5-25-16(23)13-11(3)14(17(24)26-6-2)28-15(13)20-12(22)7-10-27-18-19-8-9-21(18)4/h8-9H,5-7,10H2,1-4H3,(H,20,22)