(4-cyanophenyl)methyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: (4-cyanophenyl)methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid (4-cyanobenzyl) ester Formula: C27H17NO3S MolecularWeight: 435.49378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC5=CC=C(C=C5)C#N)C=CC=C4C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC5=CC=C(C=C5)C#N)C=CC=C4C2=O

InChI

InChI=1S/C27H17NO3S/c28-14-17-8-10-18(11-9-17)15-31-25(29)16-32-24-13-12-20-19-4-1-2-5-21(19)27(30)23-7-3-6-22(24)26(20)23/h1-13H,15-16H2