diethyl 3-methyl-5-(2-pyridin-4-ylcarbonyloxybutanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(2-pyridin-4-ylcarbonyloxybutanoylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[2-(pyridine-4-carbonyloxy)butanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[oxo(pyridin-4-yl)methoxy]butyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[2-(pyridine-4-carbonyloxy)butanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-(2-isonicotinoyloxybutanoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC)OC(=O)C2=CC=NC=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC)OC(=O)C2=CC=NC=C2

InChI

InChI=1S/C21H24N2O7S/c1-5-14(30-19(25)13-8-10-22-11-9-13)17(24)23-18-15(20(26)28-6-2)12(4)16(31-18)21(27)29-7-3/h8-11,14H,5-7H2,1-4H3,(H,23,24)