3-(4-chlorophenyl)-2-[(6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid

Systemtic Name: 3-(4-chlorophenyl)-2-[(6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid Openeye Name: 3-(4-chlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid CAS Name: 3-(4-chlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)thio]-2-propenoic acid IUPAC Name: 3-(4-chlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid Traditional Name: 3-(4-chlorophenyl)-2-[(6-keto-4,5-dihydro-1H-pyrimidin-2-yl)thio]acrylic acid Formula: C13H11ClN2O3S MolecularWeight: 310.75604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(NC1=O)SC(=CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CN=C(NC1=O)SC(=CC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H11ClN2O3S/c14-9-3-1-8(2-4-9)7-10(12(18)19)20-13-15-6-5-11(17)16-13/h1-4,7H,5-6H2,(H,18,19)(H,15,16,17)