4-[[5-[(2-bromanyl-5-ethoxy-4-methoxy-phenyl)methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid

Systemtic Name: 4-[[5-[(2-bromanyl-5-ethoxy-4-methoxy-phenyl)methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 4-[[5-[(2-bromo-5-ethoxy-4-methoxy-phenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 4-[[5-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 4-[[5-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 4-[[5-(2-bromo-5-ethoxy-4-methoxy-benzylidene)-4-keto-3-methyl-thiazolidin-2-ylidene]amino]benzoic acid Formula: C21H19BrN2O5S MolecularWeight: 491.35496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=C2C(=O)N(C(=NC3=CC=C(C=C3)C(=O)O)S2)C)Br)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C=C2C(=O)N(C(=NC3=CC=C(C=C3)C(=O)O)S2)C)Br)OC

InChI

InChI=1S/C21H19BrN2O5S/c1-4-29-17-9-13(15(22)11-16(17)28-3)10-18-19(25)24(2)21(30-18)23-14-7-5-12(6-8-14)20(26)27/h5-11H,4H2,1-3H3,(H,26,27)