(5-methyl-1,2-oxazol-3-yl)methyl 2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 2-[2-(3-methoxyanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-methoxyanilino)-2-oxoethyl]thio]benzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(m-anisidino)ethyl]thio]benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC(=NO1)COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H20N2O5S/c1-14-10-16(23-28-14)12-27-21(25)18-8-3-4-9-19(18)29-13-20(24)22-15-6-5-7-17(11-15)26-2/h3-11H,12-13H2,1-2H3,(H,22,24)