[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)OC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H20N2O3S2/c1-11(16(21)18-12-6-2-3-7-12)22-15(20)10-23-17-19-13-8-4-5-9-14(13)24-17/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,18,21)/t11-/m1/s1