ethyl 2-[[4-[2-methoxy-4-(2-oxidanylidenepropyl)phenoxy]pyrimidin-5-yl]carbamothioylamino]ethanoate

Systemtic Name: ethyl 2-[[4-[2-methoxy-4-(2-oxidanylidenepropyl)phenoxy]pyrimidin-5-yl]carbamothioylamino]ethanoate Openeye Name: ethyl 2-[[4-(4-acetonyl-2-methoxy-phenoxy)pyrimidin-5-yl]carbamothioylamino]acetate CAS Name: 2-[[[[4-[2-methoxy-4-(2-oxopropyl)phenoxy]-5-pyrimidinyl]amino]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[2-methoxy-4-(2-oxopropyl)phenoxy]pyrimidin-5-yl]carbamothioylamino]acetate Traditional Name: 2-[[4-(4-acetonyl-2-methoxy-phenoxy)pyrimidin-5-yl]thiocarbamoylamino]acetic acid ethyl ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)NC1=CN=CN=C1OC2=C(C=C(C=C2)CC(=O)C)OC

Isomeric SMILES

CCOC(=O)CNC(=S)NC1=CN=CN=C1OC2=C(C=C(C=C2)CC(=O)C)OC

InChI

InChI=1S/C19H22N4O5S/c1-4-27-17(25)10-21-19(29)23-14-9-20-11-22-18(14)28-15-6-5-13(7-12(2)24)8-16(15)26-3/h5-6,8-9,11H,4,7,10H2,1-3H3,(H2,21,23,29)