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

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [(1R)-1-(benzylcarbamoyl)propyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxobutan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [(1R)-1-(benzylcarbamoyl)propyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S/c1-2-17(21(25)22-14-15-8-4-3-5-9-15)26-20(24)13-12-19-23-16-10-6-7-11-18(16)27-19/h3-11,17H,2,12-14H2,1H3,(H,22,25)/t17-/m1/s1