N-(2-methyl-1,3-benzoxazol-5-yl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: N-(2-methyl-1,3-benzoxazol-5-yl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: N-(2-methyl-1,3-benzoxazol-5-yl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-(2-methyl-1,3-benzoxazol-5-yl)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-(2-methyl-1,3-benzoxazol-5-yl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-(2-methyl-1,3-benzoxazol-5-yl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C(CCSC)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C(CCSC)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c1-14-22-18-12-15(8-9-19(18)28-14)23-21(26)17(10-11-29-2)24-20(25)13-27-16-6-4-3-5-7-16/h3-9,12,17H,10-11,13H2,1-2H3,(H,23,26)(H,24,25)