[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-imidazol-1-ylcarbothioyloxy-hex-5-enyl] benzoate

Systemtic Name: [3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-imidazol-1-ylcarbothioyloxy-hex-5-enyl] benzoate Openeye Name: [3-(1,3-dioxoisoindolin-2-yl)-2-(imidazole-1-carbothioyloxy)hex-5-enyl] benzoate CAS Name: benzoic acid [3-(1,3-dioxo-2-isoindolyl)-2-[1-imidazolyl(sulfanylidene)methoxy]hex-5-enyl] ester IUPAC Name: [3-(1,3-dioxoisoindol-2-yl)-2-(imidazole-1-carbothioyloxy)hex-5-enyl] benzoate Traditional Name: benzoic acid [2-(imidazole-1-carbothioyloxy)-3-phthalimido-hex-5-enyl] ester Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(COC(=O)C1=CC=CC=C1)OC(=S)N2C=CN=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C=CCC(C(COC(=O)C1=CC=CC=C1)OC(=S)N2C=CN=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H21N3O5S/c1-2-8-20(28-22(29)18-11-6-7-12-19(18)23(28)30)21(33-25(34)27-14-13-26-16-27)15-32-24(31)17-9-4-3-5-10-17/h2-7,9-14,16,20-21H,1,8,15H2