O2-ethyl O4-methyl 3-methyl-5-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 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 O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 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 O2-ethyl ester O4-methyl ester Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC=CN2C)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC=CN2C)C(=O)OC)C

InChI

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