methyl 4-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate CAS Name: 4-[[[2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate Traditional Name: 4-[[2-[(1,3-benzoxazol-2-ylthio)methyl]benzoyl]amino]benzoic acid methyl ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H18N2O4S/c1-28-22(27)15-10-12-17(13-11-15)24-21(26)18-7-3-2-6-16(18)14-30-23-25-19-8-4-5-9-20(19)29-23/h2-13H,14H2,1H3,(H,24,26)