O4-ethyl O2-methyl 3-methyl-5-(3-methylbutanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 3-methyl-5-(3-methylbutanoylamino)thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 3-methyl-5-(3-methylbutanoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[(3-methyl-1-oxobutyl)amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 3-methyl-5-(3-methylbutanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 5-(isovalerylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CC(C)C

InChI

InChI=1S/C15H21NO5S/c1-6-21-14(18)11-9(4)12(15(19)20-5)22-13(11)16-10(17)7-8(2)3/h8H,6-7H2,1-5H3,(H,16,17)