(4-oxidanylidene-4-thiophen-2-yl-butyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 4-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoate CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H21NO5S/c1-14-18(15(2)27-22-14)13-26-17-9-7-16(8-10-17)21(24)25-11-3-5-19(23)20-6-4-12-28-20/h4,6-10,12H,3,5,11,13H2,1-2H3