ethyl 4-[[4-[(2R)-1-ethoxy-1-oxidanylidene-propan-2-yl]oxyphenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(2R)-1-ethoxy-1-oxidanylidene-propan-2-yl]oxyphenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-[(1R)-2-ethoxy-1-methyl-2-oxo-ethoxy]phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyanilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-[(1R)-2-ethoxy-2-keto-1-methyl-ethoxy]phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OC(C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)O[C@H](C)C(=O)OCC

InChI

InChI=1S/C21H24N2O5S/c1-4-26-19(24)14(3)28-18-12-10-17(11-13-18)23-21(29)22-16-8-6-15(7-9-16)20(25)27-5-2/h6-14H,4-5H2,1-3H3,(H2,22,23,29)/t14-/m1/s1