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

Systemtic Name: 4-[(5Z)-5-[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 4-[(5Z)-5-[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 4-[(5Z)-5-[(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 4-[(5Z)-5-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 4-[(5Z)-5-[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C3C(=O)N(C(=S)S3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C\3/C(=O)N(C(=S)S3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H18N2O3S2/c1-11-9-14(12(2)21(11)15-7-8-15)10-17-18(23)22(20(26)27-17)16-5-3-13(4-6-16)19(24)25/h3-6,9-10,15H,7-8H2,1-2H3,(H,24,25)/b17-10-