methyl 4-[[(5E)-4-oxidanylidene-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazol-2-yl]amino]benzoate

Systemtic Name: methyl 4-[[(5E)-4-oxidanylidene-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazol-2-yl]amino]benzoate Openeye Name: methyl 4-[[(5E)-4-oxo-5-[(2-prop-2-ynoxy-1-naphthyl)methylene]thiazol-2-yl]amino]benzoate CAS Name: 4-[[(5E)-4-oxo-5-[(2-prop-2-ynoxy-1-naphthalenyl)methylidene]-2-thiazolyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5E)-4-oxo-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazol-2-yl]amino]benzoate Traditional Name: 4-[[(5E)-4-keto-5-[(2-propargyloxy-1-naphthyl)methylene]-2-thiazolin-2-yl]amino]benzoic acid methyl ester Formula: C25H18N2O4S MolecularWeight: 442.48642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC(=O)C(=CC3=C(C=CC4=CC=CC=C43)OCC#C)S2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC(=O)/C(=C\C3=C(C=CC4=CC=CC=C43)OCC#C)/S2

InChI

InChI=1S/C25H18N2O4S/c1-3-14-31-21-13-10-16-6-4-5-7-19(16)20(21)15-22-23(28)27-25(32-22)26-18-11-8-17(9-12-18)24(29)30-2/h1,4-13,15H,14H2,2H3,(H,26,27,28)/b22-15+