1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2-[3-(2-phenylphenyl)propyl]pyrrolidine-2-carbothioic S-acid

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2-[3-(2-phenylphenyl)propyl]pyrrolidine-2-carbothioic S-acid Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-2-[3-(2-phenylphenyl)propyl]pyrrolidine-2-carbothioic S-acid CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-[3-(2-phenylphenyl)propyl]-2-pyrrolidinecarbothioic S-acid IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-2-[3-(2-phenylphenyl)propyl]pyrrolidine-2-carbothioic S-acid Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-2-[3-(2-phenylphenyl)propyl]pyrrolidine-2-carbothioic S-acid Formula: C27H33NO3S MolecularWeight: 451.62082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1(CCCC2=CC=CC=C2C3=CC=CC=C3)C(=O)S

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1(CCCC2=CC=CC=C2C3=CC=CC=C3)C(=O)S

InChI

InChI=1S/C27H33NO3S/c1-4-26(2,3)23(29)24(30)28-19-11-18-27(28,25(31)32)17-10-15-21-14-8-9-16-22(21)20-12-6-5-7-13-20/h5-9,12-14,16H,4,10-11,15,17-19H2,1-3H3,(H,31,32)