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

Systemtic Name: 3-[(2E)-2-(2-phenyliminoethylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Openeye Name: 3-[(2E)-2-(2-phenyliminoethylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate CAS Name: 3-[(2E)-2-(2-phenyliminoethylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonate IUPAC Name: 3-[(2E)-2-(2-phenyliminoethylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Traditional Name: 3-[(2E)-2-(2-phenyliminoethylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Formula: C18H17N2O3S2- MolecularWeight: 373.46918

Click to see the large picture

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)/p-1/b18-11+,19-12?