methyl 4-[[5-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoate

Systemtic Name: methyl 4-[[5-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoate Openeye Name: methyl 4-[[5-[(5-bromo-2-prop-2-ynoxy-phenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]amino]benzoate CAS Name: 4-[[5-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate Traditional Name: 4-[[5-(5-bromo-2-propargyloxy-benzylidene)-4-keto-3-methyl-thiazolidin-2-ylidene]amino]benzoic acid methyl ester Formula: C22H17BrN2O4S MolecularWeight: 485.35038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=C(C=CC(=C2)Br)OCC#C)SC1=NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C(=O)C(=CC2=C(C=CC(=C2)Br)OCC#C)SC1=NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H17BrN2O4S/c1-4-11-29-18-10-7-16(23)12-15(18)13-19-20(26)25(2)22(30-19)24-17-8-5-14(6-9-17)21(27)28-3/h1,5-10,12-13H,11H2,2-3H3