methyl 4-[(E)-2-[2-(3-oxidanylideneisothiochromen-1-yl)phenyl]ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-[2-(3-oxidanylideneisothiochromen-1-yl)phenyl]ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-[2-(3-oxoisothiochromen-1-yl)phenyl]vinyl]benzoate CAS Name: 4-[(E)-2-[2-(3-oxo-2-benzothiopyran-1-yl)phenyl]ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-[2-(3-oxoisothiochromen-1-yl)phenyl]ethenyl]benzoate Traditional Name: 4-[(E)-2-[2-(3-ketoisothiochromen-1-yl)phenyl]vinyl]benzoic acid methyl ester Formula: C25H18O3S MolecularWeight: 398.47362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC2=CC=CC=C2C3=C4C=CC=CC4=CC(=O)S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C2=CC=CC=C2C3=C4C=CC=CC4=CC(=O)S3

InChI

InChI=1S/C25H18O3S/c1-28-25(27)19-14-11-17(12-15-19)10-13-18-6-2-4-8-21(18)24-22-9-5-3-7-20(22)16-23(26)29-24/h2-16H,1H3/b13-10+