O2-tert-butyl O4-ethyl 3-methyl-5-(pyrazin-2-ylcarbonylamino)thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 3-methyl-5-(pyrazin-2-ylcarbonylamino)thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[oxo(2-pyrazinyl)methyl]amino]thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(pyrazinoylamino)thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=NC=CN=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=NC=CN=C2

InChI

InChI=1S/C18H21N3O5S/c1-6-25-16(23)12-10(2)13(17(24)26-18(3,4)5)27-15(12)21-14(22)11-9-19-7-8-20-11/h7-9H,6H2,1-5H3,(H,21,22)