3-(2-methyl-4-pyrrol-1-yl-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid

Systemtic Name: 3-(2-methyl-4-pyrrol-1-yl-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Openeye Name: 3-(2-methyl-4-pyrrol-1-yl-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid CAS Name: 3-[2-methyl-4-(1-pyrrolyl)-2H-1,3-benzothiazol-3-yl]-1-propanesulfonic acid IUPAC Name: 3-(2-methyl-4-pyrrol-1-yl-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Traditional Name: 3-(2-methyl-4-pyrrol-1-yl-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Formula: C15H18N2O3S2 MolecularWeight: 338.44502

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(C=CC=C2S1)N3C=CC=C3)CCCS(=O)(=O)O

Isomeric SMILES

CC1N(C2=C(C=CC=C2S1)N3C=CC=C3)CCCS(=O)(=O)O

InChI

InChI=1S/C15H18N2O3S2/c1-12-17(10-5-11-22(18,19)20)15-13(16-8-2-3-9-16)6-4-7-14(15)21-12/h2-4,6-9,12H,5,10-11H2,1H3,(H,18,19,20)