1,3-benzothiazol-2-ylmethyl 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclooctylamino)-2-oxoethyl]thio]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H28N2O3S2 MolecularWeight: 468.63142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H28N2O3S2/c28-23(26-18-10-4-2-1-3-5-11-18)17-31-21-14-8-6-12-19(21)25(29)30-16-24-27-20-13-7-9-15-22(20)32-24/h6-9,12-15,18H,1-5,10-11,16-17H2,(H,26,28)