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

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 3-methyl-5-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(4-methyl-1,4-diazepan-1-yl)-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 3-methyl-5-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2CCCN(CC2)C)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2CCCN(CC2)C)C(=O)OC)C

InChI

InChI=1S/C18H27N3O5S/c1-5-26-18(24)15-12(2)14(17(23)25-4)16(27-15)19-13(22)11-21-8-6-7-20(3)9-10-21/h5-11H2,1-4H3,(H,19,22)