(2R)-N-(1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2R)-N-(1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2R)-N-(1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2R)-N-(1,3-benzothiazol-2-yl)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2R)-N-(1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2R)-N-(1,3-benzothiazol-2-yl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCC[C@H](C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S2/c1-27-12-11-16(21-18(24)13-26-14-7-3-2-4-8-14)19(25)23-20-22-15-9-5-6-10-17(15)28-20/h2-10,16H,11-13H2,1H3,(H,21,24)(H,22,23,25)/t16-/m1/s1