O-[2-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] N-(4-nitrophenyl)carbamothioate

Systemtic Name: O-[2-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] N-(4-nitrophenyl)carbamothioate Openeye Name: O-[2-(5-methyl-1,3-dioxo-isoindolin-2-yl)ethyl] N-(4-nitrophenyl)carbamothioate CAS Name: N-(4-nitrophenyl)carbamothioic acid O-[2-(5-methyl-1,3-dioxo-2-isoindolyl)ethyl] ester IUPAC Name: O-[2-(5-methyl-1,3-dioxoisoindol-2-yl)ethyl] N-(4-nitrophenyl)carbamothioate Traditional Name: N-(4-nitrophenyl)thiocarbamic acid O-[2-(1,3-diketo-5-methyl-isoindolin-2-yl)ethyl] ester Formula: C18H15N3O5S MolecularWeight: 385.3938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCOC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCOC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-11-2-7-14-15(10-11)17(23)20(16(14)22)8-9-26-18(27)19-12-3-5-13(6-4-12)21(24)25/h2-7,10H,8-9H2,1H3,(H,19,27)