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

Systemtic Name: diethyl 5-[2-(4-aminophenyl)carbonyloxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-(4-aminobenzoyl)oxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(4-aminophenyl)-oxomethoxy]-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-(4-aminobenzoyl)oxybutanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(4-aminobenzoyl)oxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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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=C(C=C2)N

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7S/c1-5-15(31-20(26)13-8-10-14(23)11-9-13)18(25)24-19-16(21(27)29-6-2)12(4)17(32-19)22(28)30-7-3/h8-11,15H,5-7,23H2,1-4H3,(H,24,25)