cyclohexyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: cyclohexyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: cyclohexyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid cyclohexyl ester Formula: C16H19NO2S2 MolecularWeight: 321.45756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCC(CC1)OC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H19NO2S2/c18-15(19-12-6-2-1-3-7-12)10-11-20-16-17-13-8-4-5-9-14(13)21-16/h4-5,8-9,12H,1-3,6-7,10-11H2