ethyl (E)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[4-[(5-methyl-3-isoxazolyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C17H18N4O6S2 MolecularWeight: 438.47802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)C

InChI

InChI=1S/C17H18N4O6S2/c1-3-26-16(23)9-8-15(22)19-17(28)18-12-4-6-13(7-5-12)29(24,25)21-14-10-11(2)27-20-14/h4-10H,3H2,1-2H3,(H,20,21)(H2,18,19,22,28)/b9-8+