(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2-(4-fluorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2-(4-fluorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 2-(4-fluorophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-fluorophenyl)-1,3-dioxo-5-isoindolecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-fluorophenyl)-1,3-diketo-isoindoline-5-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C24H16FN3O6S MolecularWeight: 493.463743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H16FN3O6S/c1-2-33-24(32)19-18(17(10-26)20(27)35-19)11-34-23(31)12-3-8-15-16(9-12)22(30)28(21(15)29)14-6-4-13(25)5-7-14/h3-9H,2,11,27H2,1H3