ethyl 2-(3-oxidanylidenebutanoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(3-oxidanylidenebutanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(3-oxobutanoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-(1,3-dioxobutylamino)-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-oxobutanoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(acetoacetylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CC(=O)C

InChI

InChI=1S/C17H17NO4S/c1-3-22-17(21)15-13(12-7-5-4-6-8-12)10-23-16(15)18-14(20)9-11(2)19/h4-8,10H,3,9H2,1-2H3,(H,18,20)