O-[(3-sulfanylidene-2H-indol-1-yl)methyl] 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate

Systemtic Name: O-[(3-sulfanylidene-2H-indol-1-yl)methyl] 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate Openeye Name: O-[(3-thioxoindolin-1-yl)methyl] 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarbothioic acid O-[(3-sulfanylidene-2H-indol-1-yl)methyl] ester IUPAC Name: O-[(3-sulfanylidene-2H-indol-1-yl)methyl] 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carbothioic acid O-[(3-thioxoindolin-1-yl)methyl] ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=S)OCN2CC(=S)C3=CC=CC=C32

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=S)OCN2CC(=S)C3=CC=CC=C32

InChI

InChI=1S/C21H26N2O3S2/c1-4-21(2,3)18(24)19(25)23-11-7-10-16(23)20(28)26-13-22-12-17(27)14-8-5-6-9-15(14)22/h5-6,8-9,16H,4,7,10-13H2,1-3H3