[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-[(3-tert-butylisoxazol-5-yl)amino]-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H22N2O4S/c1-21(2,3)17-11-19(27-23-17)22-18(24)12-26-20(25)13-28-16-9-8-14-6-4-5-7-15(14)10-16/h4-11H,12-13H2,1-3H3,(H,22,24)