S-[3-[(2Z)-2-[(E)-3-[3-(3-ethanoylsulfanylpropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propyl] ethanethioate

Systemtic Name: S-[3-[(2Z)-2-[(E)-3-[3-(3-ethanoylsulfanylpropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propyl] ethanethioate Openeye Name: S-[3-[(2Z)-2-[(E)-3-[3-(3-acetylsulfanylpropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[(2Z)-2-[(E)-3-[3-[3-(acetylthio)propyl]-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propyl] ester IUPAC Name: S-[3-[(2Z)-2-[(E)-3-[3-(3-acetylsulfanylpropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(2Z)-2-[(E)-3-[3-[3-(acetylthio)propyl]-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propyl] ester Formula: C27H29N2O2S4+ MolecularWeight: 541.79136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CCCSC(=O)C

Isomeric SMILES

CC(=O)SCCCN\1C2=CC=CC=C2S/C1=C\C=C\C3=[N+](C4=CC=CC=C4S3)CCCSC(=O)C

InChI

InChI=1S/C27H29N2O2S4/c1-20(30)32-18-8-16-28-22-10-3-5-12-24(22)34-26(28)14-7-15-27-29(17-9-19-33-21(2)31)23-11-4-6-13-25(23)35-27/h3-7,10-15H,8-9,16-19H2,1-2H3/q+1