tert-butyl 2-[4-[(E)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[(E)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[(E)-(3-oxobenzothiophen-2-ylidene)methyl]phenoxy]acetate CAS Name: 2-[4-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenoxy]acetate Traditional Name: 2-[4-[(E)-(3-ketobenzothiophen-2-ylidene)methyl]phenoxy]acetic acid tert-butyl ester Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=C(C=C1)/C=C/2\C(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C21H20O4S/c1-21(2,3)25-19(22)13-24-15-10-8-14(9-11-15)12-18-20(23)16-6-4-5-7-17(16)26-18/h4-12H,13H2,1-3H3/b18-12+