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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O)C#N

InChI

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