methyl 4-methyl-3-(3-oxidanylidenebutanoylamino)thiophene-2-carboxylate

Systemtic Name: methyl 4-methyl-3-(3-oxidanylidenebutanoylamino)thiophene-2-carboxylate Openeye Name: methyl 4-methyl-3-(3-oxobutanoylamino)thiophene-2-carboxylate CAS Name: 3-(1,3-dioxobutylamino)-4-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-3-(3-oxobutanoylamino)thiophene-2-carboxylate Traditional Name: 3-(acetoacetylamino)-4-methyl-thiophene-2-carboxylic acid methyl ester Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1NC(=O)CC(=O)C)C(=O)OC

Isomeric SMILES

CC1=CSC(=C1NC(=O)CC(=O)C)C(=O)OC

InChI

InChI=1S/C11H13NO4S/c1-6-5-17-10(11(15)16-3)9(6)12-8(14)4-7(2)13/h5H,4H2,1-3H3,(H,12,14)