ethyl 4-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C19H23N5O7S2 MolecularWeight: 497.54522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O7S2/c1-4-31-17(26)10-9-15(25)22-19(32)20-12-5-7-13(8-6-12)33(27,28)24-14-11-16(29-2)23-18(21-14)30-3/h5-8,11H,4,9-10H2,1-3H3,(H,21,23,24)(H2,20,22,25,32)