[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C26H19NO4S2 MolecularWeight: 473.56336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC(=O)NCC5=CC=CS5)C=CC=C4C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC(=O)NCC5=CC=CS5)C=CC=C4C2=O

InChI

InChI=1S/C26H19NO4S2/c28-23(27-13-16-5-4-12-32-16)14-31-24(29)15-33-22-11-10-18-17-6-1-2-7-19(17)26(30)21-9-3-8-20(22)25(18)21/h1-12H,13-15H2,(H,27,28)