(1-butylsulfanyl-3-phenylmethoxy-propan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: (1-butylsulfanyl-3-phenylmethoxy-propan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [1-(benzyloxymethyl)-2-butylsulfanyl-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-(butylthio)-3-phenylmethoxypropan-2-yl] ester IUPAC Name: (1-butylsulfanyl-3-phenylmethoxypropan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-(benzoxymethyl)-2-(butylthio)ethyl] ester Formula: C23H27NO3S3 MolecularWeight: 461.66038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(COCC1=CC=CC=C1)OC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCSCC(COCC1=CC=CC=C1)OC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H27NO3S3/c1-2-3-13-28-16-19(15-26-14-18-9-5-4-6-10-18)27-22(25)17-29-23-24-20-11-7-8-12-21(20)30-23/h4-12,19H,2-3,13-17H2,1H3