methyl 3-(3-oxidanylidenebutanoylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(3-oxidanylidenebutanoylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-(3-oxobutanoylamino)benzothiophene-2-carboxylate CAS Name: 3-(1,3-dioxobutylamino)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-oxobutanoylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-(acetoacetylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=C(SC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

CC(=O)CC(=O)NC1=C(SC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C14H13NO4S/c1-8(16)7-11(17)15-12-9-5-3-4-6-10(9)20-13(12)14(18)19-2/h3-6H,7H2,1-2H3,(H,15,17)