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

Systemtic Name: O2-ethyl O4-methyl 5-[2-(3-aminophenyl)carbonyloxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[2-(3-aminobenzoyl)oxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(3-aminophenyl)-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-(3-aminobenzoyl)oxybutanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(3-aminobenzoyl)oxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl 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)OC)OC(=O)C2=CC(=CC=C2)N

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7S/c1-5-14(30-19(25)12-8-7-9-13(22)10-12)17(24)23-18-15(20(26)28-4)11(3)16(31-18)21(27)29-6-2/h7-10,14H,5-6,22H2,1-4H3,(H,23,24)