(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C25H19NO4S MolecularWeight: 429.48766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H19NO4S/c1-14-21(15(2)30-26-14)12-29-23(27)13-31-22-11-10-17-16-6-3-4-7-18(16)25(28)20-9-5-8-19(22)24(17)20/h3-11H,12-13H2,1-2H3