ethyl 2-[[(4E)-5-methyl-4-(4-oxidanyl-3-phenyl-1,3-thiazol-2-ylidene)pyrazol-3-yl]amino]-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(4E)-5-methyl-4-(4-oxidanyl-3-phenyl-1,3-thiazol-2-ylidene)pyrazol-3-yl]amino]-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(4E)-4-(4-hydroxy-3-phenyl-thiazol-2-ylidene)-5-methyl-pyrazol-3-yl]amino]-7-oxo-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 2-[[(4E)-4-(4-hydroxy-3-phenyl-2-thiazolylidene)-5-methyl-3-pyrazolyl]amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4E)-4-(4-hydroxy-3-phenyl-1,3-thiazol-2-ylidene)-5-methylpyrazol-3-yl]amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(4E)-4-(4-hydroxy-3-phenyl-4-thiazolin-2-ylidene)-5-methyl-pyrazol-3-yl]amino]-7-keto-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C24H22N4O4S2 MolecularWeight: 494.58588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2=O)NC3=NN=C(C3=C4N(C(=CS4)O)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2=O)NC\3=NN=C(/C3=C\4/N(C(=CS4)O)C5=CC=CC=C5)C

InChI

InChI=1S/C24H22N4O4S2/c1-3-32-24(31)19-15-10-7-11-16(29)20(15)34-22(19)25-21-18(13(2)26-27-21)23-28(17(30)12-33-23)14-8-5-4-6-9-14/h4-6,8-9,12,30H,3,7,10-11H2,1-2H3,(H,25,27)/b23-18+