ethyl 4-[2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[(3-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(3-chlorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetyl]amino]benzoic acid ethyl ester Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H20ClN3O4S/c1-2-30-21(29)15-6-8-17(9-7-15)24-19(27)11-18-12-20(28)26-22(25-18)31-13-14-4-3-5-16(23)10-14/h3-10,12H,2,11,13H2,1H3,(H,24,27)(H,25,26,28)