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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)CSC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)CSC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C16H20N2O4S/c1-3-11(4-2)17-14(19)9-21-15(20)10-23-16-18-12-7-5-6-8-13(12)22-16/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,19)