(3-methyl-1,2-oxazol-5-yl)methyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: (3-methylisoxazol-5-yl)methyl 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid (3-methylisoxazol-5-yl)methyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C2=CC(=C(C=C2NC(=O)CC3=CC=CS3)OC)OC

Isomeric SMILES

CC1=NOC(=C1)COC(=O)C2=CC(=C(C=C2NC(=O)CC3=CC=CS3)OC)OC

InChI

InChI=1S/C20H20N2O6S/c1-12-7-13(28-22-12)11-27-20(24)15-9-17(25-2)18(26-3)10-16(15)21-19(23)8-14-5-4-6-29-14/h4-7,9-10H,8,11H2,1-3H3,(H,21,23)