5-[[5-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[[5-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]-2-chloranyl-benzoic acid Openeye Name: 5-[[5-[(5-bromo-2-prop-2-ynoxy-phenyl)methylene]-4-oxo-thiazol-2-yl]amino]-2-chloro-benzoic acid CAS Name: 5-[[5-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-4-oxo-2-thiazolyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[[5-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-2-chlorobenzoic acid Traditional Name: 5-[[5-(5-bromo-2-propargyloxy-benzylidene)-4-keto-2-thiazolin-2-yl]amino]-2-chloro-benzoic acid Formula: C20H12BrClN2O4S MolecularWeight: 491.74228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12BrClN2O4S/c1-2-7-28-16-6-3-12(21)8-11(16)9-17-18(25)24-20(29-17)23-13-4-5-15(22)14(10-13)19(26)27/h1,3-6,8-10H,7H2,(H,26,27)(H,23,24,25)