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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-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-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C20H13BrClNO4S MolecularWeight: 478.74352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br)Cl

InChI

InChI=1S/C20H13BrClNO4S/c21-11-6-7-12-14(10-11)19(25)23(18(12)24)8-3-9-27-20(26)17-16(22)13-4-1-2-5-15(13)28-17/h1-2,4-7,10H,3,8-9H2