tert-butyl N-[(1S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-phenyl-2-sulfanylidene-ethyl]carbamate

Systemtic Name: tert-butyl N-[(1S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-phenyl-2-sulfanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[(1S)-2-(1,3-dioxoisoindolin-2-yl)-1-phenyl-2-thioxo-ethyl]carbamate CAS Name: N-[(1S)-2-(1,3-dioxo-2-isoindolyl)-1-phenyl-2-sulfanylideneethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S)-2-(1,3-dioxoisoindol-2-yl)-1-phenyl-2-sulfanylideneethyl]carbamate Traditional Name: N-[(1S)-1-phenyl-2-phthalimido-2-thioxo-ethyl]carbamic acid tert-butyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=S)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C1=CC=CC=C1)C(=S)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O4S/c1-21(2,3)27-20(26)22-16(13-9-5-4-6-10-13)19(28)23-17(24)14-11-7-8-12-15(14)18(23)25/h4-12,16H,1-3H3,(H,22,26)/t16-/m0/s1