ethyl (E)-4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C19H21N5O5S2 MolecularWeight: 463.53054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C19H21N5O5S2/c1-4-29-17(26)10-9-16(25)23-19(30)22-14-5-7-15(8-6-14)31(27,28)24-18-20-12(2)11-13(3)21-18/h5-11H,4H2,1-3H3,(H,20,21,24)(H2,22,23,25,30)/b10-9+