ethyl 2-[2-[(2-bromanylthiophen-3-yl)methyl]-3-oxidanylidene-1H-isoindol-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(2-bromanylthiophen-3-yl)methyl]-3-oxidanylidene-1H-isoindol-1-yl]ethanoate Openeye Name: ethyl 2-[2-[(2-bromo-3-thienyl)methyl]-3-oxo-isoindolin-1-yl]acetate CAS Name: 2-[2-[(2-bromo-3-thiophenyl)methyl]-3-oxo-1H-isoindol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2-bromothiophen-3-yl)methyl]-3-oxo-1H-isoindol-1-yl]acetate Traditional Name: 2-[2-[(2-bromo-3-thienyl)methyl]-3-keto-isoindolin-1-yl]acetic acid ethyl ester Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C2=CC=CC=C2C(=O)N1CC3=C(SC=C3)Br

Isomeric SMILES

CCOC(=O)CC1C2=CC=CC=C2C(=O)N1CC3=C(SC=C3)Br

InChI

InChI=1S/C17H16BrNO3S/c1-2-22-15(20)9-14-12-5-3-4-6-13(12)17(21)19(14)10-11-7-8-23-16(11)18/h3-8,14H,2,9-10H2,1H3