methyl 2-[2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(5-esyl-1,3-benzoxazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C19H18N2O6S2 MolecularWeight: 434.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C19H18N2O6S2/c1-3-29(24,25)12-8-9-16-15(10-12)21-19(27-16)28-11-17(22)20-14-7-5-4-6-13(14)18(23)26-2/h4-10H,3,11H2,1-2H3,(H,20,22)