[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]phenyl] acridine-9-carboxylate

Systemtic Name: [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]phenyl] acridine-9-carboxylate Openeye Name: [4-[2-(tert-butoxycarbonylamino)ethylsulfanyl]phenyl] acridine-9-carboxylate CAS Name: 9-acridinecarboxylic acid [4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylthio]phenyl] ester IUPAC Name: [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]phenyl] acridine-9-carboxylate Traditional Name: acridine-9-carboxylic acid [4-[2-(tert-butoxycarbonylamino)ethylthio]phenyl] ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCSC1=CC=C(C=C1)OC(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42

Isomeric SMILES

CC(C)(C)OC(=O)NCCSC1=CC=C(C=C1)OC(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42

InChI

InChI=1S/C27H26N2O4S/c1-27(2,3)33-26(31)28-16-17-34-19-14-12-18(13-15-19)32-25(30)24-20-8-4-6-10-22(20)29-23-11-7-5-9-21(23)24/h4-15H,16-17H2,1-3H3,(H,28,31)