1,3-bis(1,3-benzothiazol-2-ylsulfanyl)propan-2-yl prop-2-enoate

Systemtic Name: 1,3-bis(1,3-benzothiazol-2-ylsulfanyl)propan-2-yl prop-2-enoate Openeye Name: [2-(1,3-benzothiazol-2-ylsulfanyl)-1-(1,3-benzothiazol-2-ylsulfanylmethyl)ethyl] prop-2-enoate CAS Name: 2-propenoic acid 1,3-bis(1,3-benzothiazol-2-ylthio)propan-2-yl ester IUPAC Name: 1,3-bis(1,3-benzothiazol-2-ylsulfanyl)propan-2-yl prop-2-enoate Traditional Name: acrylic acid [2-(1,3-benzothiazol-2-ylthio)-1-[(1,3-benzothiazol-2-ylthio)methyl]ethyl] ester Formula: C20H16N2O2S4 MolecularWeight: 444.61324

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OC(CSC1=NC2=CC=CC=C2S1)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C=CC(=O)OC(CSC1=NC2=CC=CC=C2S1)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H16N2O2S4/c1-2-18(23)24-13(11-25-19-21-14-7-3-5-9-16(14)27-19)12-26-20-22-15-8-4-6-10-17(15)28-20/h2-10,13H,1,11-12H2