2-[(3E)-3-[[(4-methoxyphenyl)amino]methylidene]-6-methyl-4-oxidanylidene-chromen-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[(3E)-3-[[(4-methoxyphenyl)amino]methylidene]-6-methyl-4-oxidanylidene-chromen-2-yl]sulfanylethanoic acid Openeye Name: 2-[(3E)-3-[(4-methoxyanilino)methylene]-6-methyl-4-oxo-chroman-2-yl]sulfanylacetic acid CAS Name: 2-[[(3E)-3-[(4-methoxyanilino)methylidene]-6-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]thio]acetic acid IUPAC Name: 2-[(3E)-3-[(4-methoxyanilino)methylidene]-6-methyl-4-oxochromen-2-yl]sulfanylacetic acid Traditional Name: 2-[[(3E)-4-keto-6-methyl-3-(p-anisidinomethylene)chroman-2-yl]thio]acetic acid Formula: C20H19NO5S MolecularWeight: 385.43356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(=CNC3=CC=C(C=C3)OC)C2=O)SCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC(/C(=C/NC3=CC=C(C=C3)OC)/C2=O)SCC(=O)O

InChI

InChI=1S/C20H19NO5S/c1-12-3-8-17-15(9-12)19(24)16(20(26-17)27-11-18(22)23)10-21-13-4-6-14(25-2)7-5-13/h3-10,20-21H,11H2,1-2H3,(H,22,23)/b16-10+