5-bromanylthiophene-2-sulfonic acid; 4-(4-methoxyphenyl)-1,3-thiazol-2-amine

Systemtic Name: 5-bromanylthiophene-2-sulfonic acid; 4-(4-methoxyphenyl)-1,3-thiazol-2-amine Openeye Name: 5-bromothiophene-2-sulfonic acid; 4-(4-methoxyphenyl)thiazol-2-amine CAS Name: 5-bromo-2-thiophenesulfonic acid; 4-(4-methoxyphenyl)-2-thiazolamine IUPAC Name: 5-bromothiophene-2-sulfonic acid; 4-(4-methoxyphenyl)-1,3-thiazol-2-amine Traditional Name: 5-bromothiophene-2-sulfonic acid; [4-(4-methoxyphenyl)thiazol-2-yl]amine Formula: C14H13BrN2O4S3 MolecularWeight: 449.36302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)N.C1=C(SC(=C1)Br)S(=O)(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)N.C1=C(SC(=C1)Br)S(=O)(=O)O

InChI

InChI=1S/C10H10N2OS.C4H3BrO3S2/c1-13-8-4-2-7(3-5-8)9-6-14-10(11)12-9;5-3-1-2-4(9-3)10(6,7)8/h2-6H,1H3,(H2,11,12);1-2H,(H,6,7,8)