2-(3-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 2-(3-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-(3-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-(3-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-(3-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-(3-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid Formula: C14H12N2O3S2 MolecularWeight: 320.38668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC(=CC=C3)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC(=CC=C3)N)S(=O)(=O)O

InChI

InChI=1S/C14H12N2O3S2/c1-8-5-6-11-12(13(8)21(17,18)19)20-14(16-11)9-3-2-4-10(15)7-9/h2-7H,15H2,1H3,(H,17,18,19)