3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 3-chloranyl-5-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 3-chloranyl-5-methoxy-1-benzothiophene-2-carboxylate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 3-chloro-5-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-5-methoxy-1-benzothiophene-2-carboxylic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-5-methoxy-benzothiophene-2-carboxylic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C21H15BrClNO5S MolecularWeight: 508.7695

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=C2Cl)C(=O)OCCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=C2Cl)C(=O)OCCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H15BrClNO5S/c1-28-12-4-6-16-15(10-12)17(23)18(30-16)21(27)29-8-2-7-24-19(25)13-5-3-11(22)9-14(13)20(24)26/h3-6,9-10H,2,7-8H2,1H3