O-(quinolin-2-ylsulfanylmethyl) 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate

Systemtic Name: O-(quinolin-2-ylsulfanylmethyl) 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate Openeye Name: O-(2-quinolylsulfanylmethyl) 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarbothioic acid O-[(2-quinolinylthio)methyl] ester IUPAC Name: O-(quinolin-2-ylsulfanylmethyl) 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carbothioic acid O-[(2-quinolylthio)methyl] ester Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=S)OCSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=S)OCSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H26N2O3S2/c1-4-22(2,3)19(25)20(26)24-13-7-10-17(24)21(28)27-14-29-18-12-11-15-8-5-6-9-16(15)23-18/h5-6,8-9,11-12,17H,4,7,10,13-14H2,1-3H3