(2S)-2-[3-(2-azanyl-1,3-thiazol-4-yl)phenoxy]-N-(2-ethyl-6-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-[3-(2-azanyl-1,3-thiazol-4-yl)phenoxy]-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: (2S)-2-[3-(2-aminothiazol-4-yl)phenoxy]-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: (2S)-2-[3-(2-amino-4-thiazolyl)phenoxy]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: (2S)-2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: (2S)-2-[3-(2-aminothiazol-4-yl)phenoxy]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)OC2=CC=CC(=C2)C3=CSC(=N3)N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@H](C)OC2=CC=CC(=C2)C3=CSC(=N3)N)C

InChI

InChI=1S/C21H23N3O2S/c1-4-15-8-5-7-13(2)19(15)24-20(25)14(3)26-17-10-6-9-16(11-17)18-12-27-21(22)23-18/h5-12,14H,4H2,1-3H3,(H2,22,23)(H,24,25)/t14-/m0/s1