(2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-(2-phenylethanoylamino)butanamide

Systemtic Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-(2-phenylethanoylamino)butanamide Openeye Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide CAS Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanamide IUPAC Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide Traditional Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-[(2-phenylacetyl)amino]butyramide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C(C)C)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H](C(C)C)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-4-28-16-10-11-17-18(13-16)29-22(23-17)25-21(27)20(14(2)3)24-19(26)12-15-8-6-5-7-9-15/h5-11,13-14,20H,4,12H2,1-3H3,(H,24,26)(H,23,25,27)/t20-/m0/s1