[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methoxy]benzoic acid [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=NC(=CS1)COC2=CC=CC=C2C(=O)O[C@@H](C)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O4S/c1-15(20(24)23-11-7-3-4-8-12-23)27-21(25)18-9-5-6-10-19(18)26-13-17-14-28-16(2)22-17/h5-6,9-10,14-15H,3-4,7-8,11-13H2,1-2H3/t15-/m0/s1