[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C17H20N2O3S2 MolecularWeight: 364.4823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCC(C1)NC(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H20N2O3S2/c20-15(18-12-5-1-2-6-12)11-22-16(21)9-10-23-17-19-13-7-3-4-8-14(13)24-17/h3-4,7-8,12H,1-2,5-6,9-11H2,(H,18,20)