ethyl 4-[1,3-bis(oxidanylidene)-5-(1,3-thiazol-2-ylcarbamoyl)isoindol-2-yl]benzoate

Systemtic Name: ethyl 4-[1,3-bis(oxidanylidene)-5-(1,3-thiazol-2-ylcarbamoyl)isoindol-2-yl]benzoate Openeye Name: ethyl 4-[1,3-dioxo-5-(thiazol-2-ylcarbamoyl)isoindolin-2-yl]benzoate CAS Name: 4-[1,3-dioxo-5-[oxo-(2-thiazolylamino)methyl]-2-isoindolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1,3-dioxo-5-(1,3-thiazol-2-ylcarbamoyl)isoindol-2-yl]benzoate Traditional Name: 4-[1,3-diketo-5-(thiazol-2-ylcarbamoyl)isoindolin-2-yl]benzoic acid ethyl ester Formula: C21H15N3O5S MolecularWeight: 421.4259

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NC=CS4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NC=CS4

InChI

InChI=1S/C21H15N3O5S/c1-2-29-20(28)12-3-6-14(7-4-12)24-18(26)15-8-5-13(11-16(15)19(24)27)17(25)23-21-22-9-10-30-21/h3-11H,2H2,1H3,(H,22,23,25)