[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [(1R)-1-(benzylcarbamoyl)propyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxobutan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [(1R)-1-(benzylcarbamoyl)propyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O3S/c1-2-18(22(26)23-15-16-9-4-3-5-10-16)27-21(25)14-8-13-20-24-17-11-6-7-12-19(17)28-20/h3-7,9-12,18H,2,8,13-15H2,1H3,(H,23,26)/t18-/m1/s1