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

Systemtic Name: (2S)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C(C(C)C)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@H](C(C)C)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-13(2)20(24-19(25)12-27-16-7-5-4-6-8-16)21(26)23-15-9-10-17-18(11-15)28-14(3)22-17/h4-11,13,20H,12H2,1-3H3,(H,23,26)(H,24,25)/t20-/m0/s1