methyl 2-[2-[(3-cyanophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[(3-cyanophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(3-cyanophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[(3-cyanophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(3-cyanophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[(3-cyanobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C15H13N3O3S MolecularWeight: 315.34702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H13N3O3S/c1-21-14(20)7-12-6-13(19)18-15(17-12)22-9-11-4-2-3-10(5-11)8-16/h2-6H,7,9H2,1H3,(H,17,18,19)