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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: (2-amino-2-oxo-ethyl) 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid (2-amino-2-keto-ethyl) ester Formula: C21H15NO4S MolecularWeight: 377.4131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15NO4S/c22-18(23)10-26-19(24)11-27-17-9-8-13-12-4-1-2-5-14(12)21(25)16-7-3-6-15(17)20(13)16/h1-9H,10-11H2,(H2,22,23)