S-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl] 2-prop-2-ynoxybenzenecarbothioate

Systemtic Name: S-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl] 2-prop-2-ynoxybenzenecarbothioate Openeye Name: S-[2-[2-(tert-butoxycarbonylamino)phenyl]ethyl] 2-prop-2-ynoxybenzenecarbothioate CAS Name: 2-prop-2-ynoxybenzenecarbothioic acid S-[2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]ethyl] ester IUPAC Name: S-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl] 2-prop-2-ynoxybenzenecarbothioate Traditional Name: 2-propargyloxythiobenzoic acid S-[2-[2-(tert-butoxycarbonylamino)phenyl]ethyl] ester Formula: C23H25NO4S MolecularWeight: 411.5139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC=C1CCSC(=O)C2=CC=CC=C2OCC#C

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1CCSC(=O)C2=CC=CC=C2OCC#C

InChI

InChI=1S/C23H25NO4S/c1-5-15-27-20-13-9-7-11-18(20)21(25)29-16-14-17-10-6-8-12-19(17)24-22(26)28-23(2,3)4/h1,6-13H,14-16H2,2-4H3,(H,24,26)