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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H20N2O6S2/c1-3-30(25,26)15-8-9-17-16(10-15)22-20(28-17)29-12-18(23)21-11-13-4-6-14(7-5-13)19(24)27-2/h4-10H,3,11-12H2,1-2H3,(H,21,23)