[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-[(4-chlorobenzoyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]butanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)amino]butyric acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C17H15BrClNO4S MolecularWeight: 444.7273

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCC(=O)OCC(=O)C2=CC=C(S2)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCC(=O)OCC(=O)C2=CC=C(S2)Br)Cl

InChI

InChI=1S/C17H15BrClNO4S/c18-15-8-7-14(25-15)13(21)10-24-16(22)2-1-9-20-17(23)11-3-5-12(19)6-4-11/h3-8H,1-2,9-10H2,(H,20,23)