ethyl 1-[2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]oxyacetyl]isonipecotic acid ethyl ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H26N2O5S2/c1-2-31-23(29)19-11-13-27(14-12-19)22(28)15-32-24(30)18-9-7-17(8-10-18)16-33-25-26-20-5-3-4-6-21(20)34-25/h3-10,19H,2,11-16H2,1H3