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

Systemtic Name: methyl 4-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]butanoate CAS Name: 4-[[[2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]butanoate Traditional Name: 4-[[2-[(1,3-benzoxazol-2-ylthio)methyl]benzoyl]amino]butyric acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC=CC=C1CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC=CC=C1CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H20N2O4S/c1-25-18(23)11-6-12-21-19(24)15-8-3-2-7-14(15)13-27-20-22-16-9-4-5-10-17(16)26-20/h2-5,7-10H,6,11-13H2,1H3,(H,21,24)