3-[(2Z)-2-(2-sulfanylidenebutylidene)benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate

Systemtic Name: 3-[(2Z)-2-(2-sulfanylidenebutylidene)benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate Openeye Name: 3-[(2Z)-2-(2-thioxobutylidene)benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate CAS Name: 3-[(2Z)-2-(2-sulfanylidenebutylidene)-1-benzo[e][1,3]benzothiazolyl]-1-propanesulfonate IUPAC Name: 3-[(2Z)-2-(2-sulfanylidenebutylidene)benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate Traditional Name: 3-[(2Z)-2-(2-thioxobutylidene)benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate Formula: C18H18NO3S3- MolecularWeight: 392.53542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)C=C1N(C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCC(=S)/C=C\1/N(C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C18H19NO3S3/c1-2-14(23)12-17-19(10-5-11-25(20,21)22)18-15-7-4-3-6-13(15)8-9-16(18)24-17/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,20,21,22)/p-1/b17-12-