2-[(5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid

Systemtic Name: 2-[(5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Openeye Name: 2-[(5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid CAS Name: 2-[(5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid IUPAC Name: 2-[(5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Traditional Name: 2-[(5E)-4-keto-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid Formula: C13H12N2O4S4 MolecularWeight: 388.50538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C3C(=O)N(C(=S)S3)CCS(=O)(=O)O

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C/3\C(=O)N(C(=S)S3)CCS(=O)(=O)O

InChI

InChI=1S/C13H12N2O4S4/c1-14-8-4-2-3-5-9(8)21-12(14)10-11(16)15(13(20)22-10)6-7-23(17,18)19/h2-5H,6-7H2,1H3,(H,17,18,19)/b12-10+