10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanyl-phenothiazine; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid

Systemtic Name: 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanyl-phenothiazine; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid Openeye Name: 10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylsulfanyl-phenothiazine; (2S)-5-oxopyrrolidine-2-carboxylic acid CAS Name: 10-[2-(1-methyl-2-piperidinyl)ethyl]-2-(methylthio)phenothiazine; (2S)-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine; (2S)-5-oxopyrrolidine-2-carboxylic acid Traditional Name: (2S)-5-ketoproline; 10-[2-(1-methyl-2-piperidyl)ethyl]-2-(methylthio)phenothiazine Formula: C26H33N3O3S2 MolecularWeight: 499.68852

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC.C1CC(=O)NC1C(=O)O

Isomeric SMILES

CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC.C1CC(=O)N[C@@H]1C(=O)O

InChI

InChI=1S/C21H26N2S2.C5H7NO3/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23;7-4-2-1-3(6-4)5(8)9/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)/t;3-/m.0/s1