3-[(2E)-2-(2-phenyliminoethylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2E)-2-(2-phenyliminoethylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-[(2E)-2-(2-phenyliminoethylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid CAS Name: 3-[(2E)-2-(2-phenyliminoethylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[(2E)-2-(2-phenyliminoethylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Traditional Name: 3-[(2E)-2-(2-phenyliminoethylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=CC=C2N(C3=CC=CC=C3S2)CCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N=C/C=C/2\N(C3=CC=CC=C3S2)CCCS(=O)(=O)O

InChI

InChI=1S/C18H18N2O3S2/c21-25(22,23)14-6-13-20-16-9-4-5-10-17(16)24-18(20)11-12-19-15-7-2-1-3-8-15/h1-5,7-12H,6,13-14H2,(H,21,22,23)/b18-11+,19-12?