[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-[(3S,5S)-3,5-dimethylpiperidino]-2-keto-ethyl] ester Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)C

InChI

InChI=1S/C24H28N2O3S/c1-17-13-18(2)15-25(14-17)23(27)16-29-24(28)11-12-26-19-7-3-5-9-21(19)30-22-10-6-4-8-20(22)26/h3-10,17-18H,11-16H2,1-2H3/t17-,18-/m0/s1