[2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-[[(1S)-1-methylhexyl]amino]-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-keto-2-[[(1S)-1-methylhexyl]amino]ethyl] ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)CSC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCCCC[C@H](C)NC(=O)COC(=O)CSC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C18H24N2O4S/c1-3-4-5-8-13(2)19-16(21)11-23-17(22)12-25-18-20-14-9-6-7-10-15(14)24-18/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,19,21)/t13-/m0/s1