(2-phenyl-1,3-thiazol-4-yl)methyl 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: (2-phenylthiazol-4-yl)methyl 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid (2-phenylthiazol-4-yl)methyl ester Formula: C27H20N2O4S MolecularWeight: 468.5237

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H20N2O4S/c30-25-22-12-11-20(15-23(22)26(31)29(25)14-13-18-7-3-1-4-8-18)27(32)33-16-21-17-34-24(28-21)19-9-5-2-6-10-19/h1-12,15,17H,13-14,16H2