[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(2-thenyl)pyrrole-3-carboxylic acid phthalimidomethyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18N2O4S/c1-13-10-18(14(2)22(13)11-15-6-5-9-28-15)21(26)27-12-23-19(24)16-7-3-4-8-17(16)20(23)25/h3-10H,11-12H2,1-2H3