5-[(5Z)-5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid

Systemtic Name: 5-[(5Z)-5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid Openeye Name: 5-[(5Z)-5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pentanoic acid CAS Name: 5-[(5Z)-5-[(2,5-dimethyl-1-phenyl-3-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanoic acid IUPAC Name: 5-[(5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid Traditional Name: 5-[(5Z)-5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]valeric acid Formula: C21H22N2O3S2 MolecularWeight: 414.54098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=C3C(=O)N(C(=S)S3)CCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C\3/C(=O)N(C(=S)S3)CCCCC(=O)O

InChI

InChI=1S/C21H22N2O3S2/c1-14-12-16(15(2)23(14)17-8-4-3-5-9-17)13-18-20(26)22(21(27)28-18)11-7-6-10-19(24)25/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,24,25)/b18-13-