[2-[(E)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenyl] 2-bromanylbenzoate

Systemtic Name: [2-[(E)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenyl] 2-bromanylbenzoate Openeye Name: [2-[(E)-(3-oxobenzothiophen-2-ylidene)methyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] ester IUPAC Name: [2-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-[(E)-(3-ketobenzothiophen-2-ylidene)methyl]phenyl] ester Formula: C22H13BrO3S MolecularWeight: 437.30582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C2C(=O)C3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/2\C(=O)C3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C22H13BrO3S/c23-17-10-4-2-8-15(17)22(25)26-18-11-5-1-7-14(18)13-20-21(24)16-9-3-6-12-19(16)27-20/h1-13H/b20-13+