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

Systemtic Name: 3-(2,4-dichlorophenyl)-2-[(6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid Openeye Name: 3-(2,4-dichlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid CAS Name: 3-(2,4-dichlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)thio]-2-propenoic acid IUPAC Name: 3-(2,4-dichlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid Traditional Name: 3-(2,4-dichlorophenyl)-2-[(6-keto-4,5-dihydro-1H-pyrimidin-2-yl)thio]acrylic acid Formula: C13H10Cl2N2O3S MolecularWeight: 345.2011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10Cl2N2O3S/c14-8-2-1-7(9(15)6-8)5-10(12(19)20)21-13-16-4-3-11(18)17-13/h1-2,5-6H,3-4H2,(H,19,20)(H,16,17,18)