[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-bromanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-bromanylbenzoate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-bromobenzoate Traditional Name: 4-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=CSC(=C1)CSCCNC(=O)COC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CSC(=C1)CSCCNC(=O)COC(=O)C2=CC=C(C=C2)Br

InChI

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