[(1R)-1-cyanoethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: [(1R)-1-cyanoethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid [(1R)-1-cyanoethyl] ester Formula: C22H15NO3S MolecularWeight: 373.4244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CSC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C4C3=O

Isomeric SMILES

C[C@H](C#N)OC(=O)CSC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H15NO3S/c1-13(11-23)26-20(24)12-27-19-10-9-15-14-5-2-3-6-16(14)22(25)18-8-4-7-17(19)21(15)18/h2-10,13H,12H2,1H3/t13-/m1/s1