[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C25H18N2O4S MolecularWeight: 442.48642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CSC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C4C3=O)/N

InChI

InChI=1S/C25H18N2O4S/c1-14(27)20(11-26)21(28)12-31-23(29)13-32-22-10-9-16-15-5-2-3-6-17(15)25(30)19-8-4-7-18(22)24(16)19/h2-10H,12-13,27H2,1H3/b20-14+