O2-ethyl O4-methyl 5-[2-(2-chloranylpyridin-4-yl)carbonyloxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 5-[2-(2-chloranylpyridin-4-yl)carbonyloxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 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 O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 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 O2-ethyl ester O4-methyl ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O7S/c1-5-12(30-18(25)11-7-8-22-13(21)9-11)16(24)23-17-14(19(26)28-4)10(3)15(31-17)20(27)29-6-2/h7-9,12H,5-6H2,1-4H3,(H,23,24)