diethyl 5-[2-(2-chloranylpyridin-4-yl)carbonyloxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(2-chloranylpyridin-4-yl)carbonyloxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-(2-chloropyridine-4-carbonyl)oxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(2-chloro-4-pyridinyl)-oxomethoxy]-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-(2-chloropyridine-4-carbonyl)oxybutanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(2-chloroisonicotinoyl)oxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H23ClN2O7S MolecularWeight: 482.93452

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O7S/c1-5-13(31-19(26)12-8-9-23-14(22)10-12)17(25)24-18-15(20(27)29-6-2)11(4)16(32-18)21(28)30-7-3/h8-10,13H,5-7H2,1-4H3,(H,24,25)