2-[(5E)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate

Systemtic Name: 2-[(5E)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Openeye Name: 2-[(5E)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonate CAS Name: 2-[(5E)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonate IUPAC Name: 2-[(5E)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Traditional Name: 2-[(5E)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonate Formula: C14H13N2O4S4- MolecularWeight: 401.52402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=C3C(=O)N(C(=S)S3)CCS(=O)(=O)[O-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C/3\C(=O)N(C(=S)S3)CCS(=O)(=O)[O-]

InChI

InChI=1S/C14H14N2O4S4/c1-2-15-9-5-3-4-6-10(9)22-13(15)11-12(17)16(14(21)23-11)7-8-24(18,19)20/h3-6H,2,7-8H2,1H3,(H,18,19,20)/p-1/b13-11+