3-[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-hydroxy-3-[2-(4-methylanilino)thiazol-4-yl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-hydroxy-3-[2-(4-methylanilino)-4-thiazolyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-hydroxy-3-[2-(4-methylanilino)-1,3-thiazol-4-yl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-hydroxy-3-[2-(p-toluidino)thiazol-4-yl]cyclohepta-2,4,6-trien-1-one Formula: C17H14N2O2S MolecularWeight: 310.37026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(C(=O)C=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(C(=O)C=CC=C3)O

InChI

InChI=1S/C17H14N2O2S/c1-11-6-8-12(9-7-11)18-17-19-14(10-22-17)13-4-2-3-5-15(20)16(13)21/h2-10H,1H3,(H,18,19)(H,20,21)