[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)CCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)CCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H24N2O3S/c26-21(13-7-6-12-20-25-18-10-4-5-11-19(18)29-20)28-22(16-8-2-1-3-9-16)23(27)24-17-14-15-17/h1-5,8-11,17,22H,6-7,12-15H2,(H,24,27)/t22-/m1/s1