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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-[(2-methylthiazol-4-yl)methoxy]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methoxy]benzoic acid [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=C(C=C2)C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=NC(=CS1)COC2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O4S/c1-15(20(24)23-11-5-3-4-6-12-23)27-21(25)17-7-9-19(10-8-17)26-13-18-14-28-16(2)22-18/h7-10,14-15H,3-6,11-13H2,1-2H3