methyl 4-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethylcarbamoyl]benzoate

Systemtic Name: methyl 4-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethylcarbamoyl]benzoate Openeye Name: methyl 4-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethylcarbamoyl]benzoate CAS Name: 4-[[2-[(5-bromo-2-thiophenyl)methylthio]ethylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethylcarbamoyl]benzoate Traditional Name: 4-[2-[(5-bromo-2-thienyl)methylthio]ethylcarbamoyl]benzoic acid methyl ester Formula: C16H16BrNO3S2 MolecularWeight: 414.33714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCSCC2=CC=C(S2)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCSCC2=CC=C(S2)Br

InChI

InChI=1S/C16H16BrNO3S2/c1-21-16(20)12-4-2-11(3-5-12)15(19)18-8-9-22-10-13-6-7-14(17)23-13/h2-7H,8-10H2,1H3,(H,18,19)