2-(2-hydroxyethylsulfanyl)ethyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate

Systemtic Name: 2-(2-hydroxyethylsulfanyl)ethyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate Openeye Name: 2-(2-hydroxyethylsulfanyl)ethyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 2-(2-hydroxyethylthio)ethyl ester IUPAC Name: 2-(2-hydroxyethylsulfanyl)ethyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 2-(2-hydroxyethylthio)ethyl ester Formula: C16H25BrN2O3S MolecularWeight: 405.3503

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C(=CC(=C1)C(=O)OCCSCCO)Br)N

Isomeric SMILES

CCN(CC)CC1=C(C(=CC(=C1)C(=O)OCCSCCO)Br)N

InChI

InChI=1S/C16H25BrN2O3S/c1-3-19(4-2)11-13-9-12(10-14(17)15(13)18)16(21)22-6-8-23-7-5-20/h9-10,20H,3-8,11,18H2,1-2H3