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2-ethylhexyl 2-methylsulfanyl-2-phenothiazin-10-yl-ethanoate

2-ethylhexyl 2-methylsulfanyl-2-phenothiazin-10-yl-ethanoate

Systemtic Name:2-ethylhexyl 2-methylsulfanyl-2-phenothiazin-10-yl-ethanoate
Openeye Name:2-ethylhexyl 2-methylsulfanyl-2-phenothiazin-10-yl-acetate
CAS Name:2-(methylthio)-2-(10-phenothiazinyl)acetic acid 2-ethylhexyl ester
IUPAC Name:2-ethylhexyl 2-methylsulfanyl-2-phenothiazin-10-ylacetate
Traditional Name:2-(methylthio)-2-phenothiazin-10-yl-acetic acid 2-ethylhexyl ester
Formula: C23H29NO2S2
MolecularWeight: 415.61186
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C(N1C2=CC=CC=C2SC3=CC=CC=C31)SC


Isomeric SMILES

CCCCC(CC)COC(=O)C(N1C2=CC=CC=C2SC3=CC=CC=C31)SC


InChI

InChI=1S/C23H29NO2S2/c1-4-6-11-17(5-2)16-26-23(25)22(27-3)24-18-12-7-9-14-20(18)28-21-15-10-8-13-19(21)24/h7-10,12-15,17,22H,4-6,11,16H2,1-3H3


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