methyl 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]heptanoate

Systemtic Name: methyl 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]heptanoate Openeye Name: methyl 7-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]heptanoate CAS Name: 7-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]heptanoate Traditional Name: 7-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]enanthic acid methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)CSC1=NC2=CC=CC=C2O1

Isomeric SMILES

COC(=O)CCCCCCNC(=O)CSC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C17H22N2O4S/c1-22-16(21)10-4-2-3-7-11-18-15(20)12-24-17-19-13-8-5-6-9-14(13)23-17/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,18,20)