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

Systemtic Name: [4-methyl-2-[(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-methyl-2-[(3-oxobenzothiophen-2-ylidene)methyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-methyl-2-[(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] ester IUPAC Name: [4-methyl-2-[(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[(3-ketobenzothiophen-2-ylidene)methyl]-4-methyl-phenyl] ester Formula: C23H15BrO3S MolecularWeight: 451.3324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)C=C3C(=O)C4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)C=C3C(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C23H15BrO3S/c1-14-9-10-19(27-23(26)15-5-4-6-17(24)12-15)16(11-14)13-21-22(25)18-7-2-3-8-20(18)28-21/h2-13H,1H3