1-[1-[3-(2-methoxy-6-methylsulfanyl-phenothiazin-10-yl)propyl]piperidin-4-yl]ethyl heptanoate

Systemtic Name: 1-[1-[3-(2-methoxy-6-methylsulfanyl-phenothiazin-10-yl)propyl]piperidin-4-yl]ethyl heptanoate Openeye Name: 1-[1-[3-(2-methoxy-6-methylsulfanyl-phenothiazin-10-yl)propyl]-4-piperidyl]ethyl heptanoate CAS Name: heptanoic acid 1-[1-[3-[2-methoxy-6-(methylthio)-10-phenothiazinyl]propyl]-4-piperidinyl]ethyl ester IUPAC Name: 1-[1-[3-(2-methoxy-6-methylsulfanylphenothiazin-10-yl)propyl]piperidin-4-yl]ethyl heptanoate Traditional Name: enanthic acid 1-[1-[3-[2-methoxy-6-(methylthio)phenothiazin-10-yl]propyl]-4-piperidyl]ethyl ester Formula: C31H44N2O3S2 MolecularWeight: 556.82266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC(C)C1CCN(CC1)CCCN2C3=C(C(=CC=C3)SC)SC4=C2C=C(C=C4)OC

Isomeric SMILES

CCCCCCC(=O)OC(C)C1CCN(CC1)CCCN2C3=C(C(=CC=C3)SC)SC4=C2C=C(C=C4)OC

InChI

InChI=1S/C31H44N2O3S2/c1-5-6-7-8-13-30(34)36-23(2)24-16-20-32(21-17-24)18-10-19-33-26-11-9-12-29(37-4)31(26)38-28-15-14-25(35-3)22-27(28)33/h9,11-12,14-15,22-24H,5-8,10,13,16-21H2,1-4H3