1-[3-methyl-2-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-methyl-2-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-methyl-2-[5-[(1-methylpyrrol-2-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[3-methyl-2-[5-[(1-methyl-2-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-methyl-2-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[4-keto-5-[(1-methylpyrrol-2-yl)methylene]-2-thioxo-thiazolidin-3-yl]-3-methyl-butanoyl]isonipecotic acid Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)C(=O)O)N2C(=O)C(=CC3=CC=CN3C)SC2=S

Isomeric SMILES

CC(C)C(C(=O)N1CCC(CC1)C(=O)O)N2C(=O)C(=CC3=CC=CN3C)SC2=S

InChI

InChI=1S/C20H25N3O4S2/c1-12(2)16(18(25)22-9-6-13(7-10-22)19(26)27)23-17(24)15(29-20(23)28)11-14-5-4-8-21(14)3/h4-5,8,11-13,16H,6-7,9-10H2,1-3H3,(H,26,27)