[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-thiophen-2-ylbutanoate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-thiophen-2-ylbutanoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C16H16BrNO3S MolecularWeight: 382.27214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)COC(=O)CCCC2=CC=CS2

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)COC(=O)CCCC2=CC=CS2

InChI

InChI=1S/C16H16BrNO3S/c17-12-4-1-5-13(10-12)18-15(19)11-21-16(20)8-2-6-14-7-3-9-22-14/h1,3-5,7,9-10H,2,6,8,11H2,(H,18,19)