[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-bromanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-bromanylbenzoate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C16H16BrNO3S2 MolecularWeight: 414.33714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)OCC(=O)NCCSCC2=CC=CS2

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)OCC(=O)NCCSCC2=CC=CS2

InChI

InChI=1S/C16H16BrNO3S2/c17-13-4-1-3-12(9-13)16(20)21-10-15(19)18-6-8-22-11-14-5-2-7-23-14/h1-5,7,9H,6,8,10-11H2,(H,18,19)