[2-(hexylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-2-3-4-7-10-18-15(20)11-22-16(21)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)