butyl 2-(4-methylsulfanylphenyl)-2-(phenylmethoxycarbonylamino)ethanoate

Systemtic Name: butyl 2-(4-methylsulfanylphenyl)-2-(phenylmethoxycarbonylamino)ethanoate Openeye Name: butyl 2-(benzyloxycarbonylamino)-2-(4-methylsulfanylphenyl)acetate CAS Name: 2-[4-(methylthio)phenyl]-2-(phenylmethoxycarbonylamino)acetic acid butyl ester IUPAC Name: butyl 2-(4-methylsulfanylphenyl)-2-(phenylmethoxycarbonylamino)acetate Traditional Name: 2-(benzyloxycarbonylamino)-2-[4-(methylthio)phenyl]acetic acid butyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C1=CC=C(C=C1)SC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C(C1=CC=C(C=C1)SC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO4S/c1-3-4-14-25-20(23)19(17-10-12-18(27-2)13-11-17)22-21(24)26-15-16-8-6-5-7-9-16/h5-13,19H,3-4,14-15H2,1-2H3,(H,22,24)