[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C28H27NO4S MolecularWeight: 473.58328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O)C

InChI

InChI=1S/C28H27NO4S/c1-17-12-18(2)14-29(13-17)25(30)15-33-26(31)16-34-24-11-10-20-19-6-3-4-7-21(19)28(32)23-9-5-8-22(24)27(20)23/h3-11,17-18H,12-16H2,1-2H3