methyl 3-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyloxy]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyloxy]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]oxyacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]oxyacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[2-(1,3-benzoxazol-2-ylthio)acetyl]oxyacetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H18N2O6S/c1-12-7-8-13(19(25)26-2)9-15(12)21-17(23)10-27-18(24)11-29-20-22-14-5-3-4-6-16(14)28-20/h3-9H,10-11H2,1-2H3,(H,21,23)