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

Systemtic Name: 2-(2-hydroxyethylsulfanyl)ethyl 4-azanyl-3-bromanyl-5-(morpholin-4-ylmethyl)benzoate Openeye Name: 2-(2-hydroxyethylsulfanyl)ethyl 4-amino-3-bromo-5-(morpholinomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(4-morpholinylmethyl)benzoic acid 2-(2-hydroxyethylthio)ethyl ester IUPAC Name: 2-(2-hydroxyethylsulfanyl)ethyl 4-amino-3-bromo-5-(morpholin-4-ylmethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(morpholinomethyl)benzoic acid 2-(2-hydroxyethylthio)ethyl ester Formula: C16H23BrN2O4S MolecularWeight: 419.33382

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=C(C(=CC(=C2)C(=O)OCCSCCO)Br)N

Isomeric SMILES

C1COCCN1CC2=C(C(=CC(=C2)C(=O)OCCSCCO)Br)N

InChI

InChI=1S/C16H23BrN2O4S/c17-14-10-12(16(21)23-6-8-24-7-3-20)9-13(15(14)18)11-19-1-4-22-5-2-19/h9-10,20H,1-8,11,18H2