[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C18H14BrNO5S MolecularWeight: 436.27646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H14BrNO5S/c19-15-8-7-14(26-15)13(21)10-25-16(22)6-3-9-20-17(23)11-4-1-2-5-12(11)18(20)24/h1-2,4-5,7-8H,3,6,9-10H2