ethyl 4-[2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-esyl-1,3-benzoxazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)CC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)CC

InChI

InChI=1S/C20H20N2O6S2/c1-3-27-19(24)13-5-7-14(8-6-13)21-18(23)12-29-20-22-16-11-15(30(25,26)4-2)9-10-17(16)28-20/h5-11H,3-4,12H2,1-2H3,(H,21,23)