(E)-3-[(2E)-5-methyl-2-(2-oxidanylidenepropylidene)-1,3-benzothiazol-3-yl]prop-1-ene-1-sulfonic acid

Systemtic Name: (E)-3-[(2E)-5-methyl-2-(2-oxidanylidenepropylidene)-1,3-benzothiazol-3-yl]prop-1-ene-1-sulfonic acid Openeye Name: (E)-3-[(2E)-2-acetonylidene-5-methyl-1,3-benzothiazol-3-yl]prop-1-ene-1-sulfonic acid CAS Name: (E)-3-[(2E)-5-methyl-2-(2-oxopropylidene)-1,3-benzothiazol-3-yl]-1-propene-1-sulfonic acid IUPAC Name: (E)-3-[(2E)-5-methyl-2-(2-oxopropylidene)-1,3-benzothiazol-3-yl]prop-1-ene-1-sulfonic acid Traditional Name: (E)-3-[(2E)-2-acetonylidene-5-methyl-1,3-benzothiazol-3-yl]prop-1-ene-1-sulfonic acid Formula: C14H15NO4S2 MolecularWeight: 325.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=CC(=O)C)N2CC=CS(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)S/C(=C/C(=O)C)/N2C/C=C/S(=O)(=O)O

InChI

InChI=1S/C14H15NO4S2/c1-10-4-5-13-12(8-10)15(6-3-7-21(17,18)19)14(20-13)9-11(2)16/h3-5,7-9H,6H2,1-2H3,(H,17,18,19)/b7-3+,14-9+