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

Systemtic Name: 3-[[(5Z)-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 3-[[(5Z)-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 3-[[(5Z)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 3-[[(5Z)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 3-[[(5Z)-4-keto-5-(3-methoxy-4-propargyloxy-benzylidene)-3-methyl-thiazolidin-2-ylidene]amino]benzoic acid Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O5S/c1-4-10-29-17-9-8-14(11-18(17)28-3)12-19-20(25)24(2)22(30-19)23-16-7-5-6-15(13-16)21(26)27/h1,5-9,11-13H,10H2,2-3H3,(H,26,27)/b19-12-,23-22?