methyl 3-(4-chlorophenyl)-3-[3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]propanoate

Systemtic Name: methyl 3-(4-chlorophenyl)-3-[3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]propanoate Openeye Name: methyl 3-(4-chlorophenyl)-3-[3-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)propanoylamino]propanoate CAS Name: 3-(4-chlorophenyl)-3-[[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-chlorophenyl)-3-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]propanoate Traditional Name: 3-(4-chlorophenyl)-3-[3-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)propanoylamino]propionic acid methyl ester Formula: C18H20ClN3O4S MolecularWeight: 409.8871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=S)N1)CCC(=O)NC(CC(=O)OC)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=O)NC(=S)N1)CCC(=O)NC(CC(=O)OC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H20ClN3O4S/c1-10-13(17(25)22-18(27)20-10)7-8-15(23)21-14(9-16(24)26-2)11-3-5-12(19)6-4-11/h3-6,14H,7-9H2,1-2H3,(H,21,23)(H2,20,22,25,27)