ethanoic acid; S-morpholin-4-yl 5-bromanyl-2-oxidanyl-benzenecarbothioate

Systemtic Name: ethanoic acid; S-morpholin-4-yl 5-bromanyl-2-oxidanyl-benzenecarbothioate Openeye Name: acetic acid; S-morpholino 5-bromo-2-hydroxy-benzenecarbothioate CAS Name: acetic acid; 5-bromo-2-hydroxybenzenecarbothioic acid S-(4-morpholinyl) ester IUPAC Name: acetic acid; S-morpholin-4-yl 5-bromo-2-hydroxybenzenecarbothioate Traditional Name: acetic acid; 5-bromo-2-hydroxy-thiobenzoic acid S-morpholino ester Formula: C13H16BrNO5S MolecularWeight: 378.23884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1COCCN1SC(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

CC(=O)O.C1COCCN1SC(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C11H12BrNO3S.C2H4O2/c12-8-1-2-10(14)9(7-8)11(15)17-13-3-5-16-6-4-13;1-2(3)4/h1-2,7,14H,3-6H2;1H3,(H,3,4)