tert-butyl 2-[4-(3-oxidanylidene-4-thiophen-2-yl-1H-isoindol-2-yl)phenyl]propanoate

Systemtic Name: tert-butyl 2-[4-(3-oxidanylidene-4-thiophen-2-yl-1H-isoindol-2-yl)phenyl]propanoate Openeye Name: tert-butyl 2-[4-[1-oxo-7-(2-thienyl)isoindolin-2-yl]phenyl]propanoate CAS Name: 2-[4-(3-oxo-4-thiophen-2-yl-1H-isoindol-2-yl)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(3-oxo-4-thiophen-2-yl-1H-isoindol-2-yl)phenyl]propanoate Traditional Name: 2-[4-[1-keto-7-(2-thienyl)isoindolin-2-yl]phenyl]propionic acid tert-butyl ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CC3=CC=CC(=C3C2=O)C4=CC=CS4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CC3=CC=CC(=C3C2=O)C4=CC=CS4)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H25NO3S/c1-16(24(28)29-25(2,3)4)17-10-12-19(13-11-17)26-15-18-7-5-8-20(22(18)23(26)27)21-9-6-14-30-21/h5-14,16H,15H2,1-4H3