2-[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]but-3-enoic acid

Systemtic Name: 2-[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]but-3-enoic acid Openeye Name: 2-[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-dioxo-pyrimidin-1-yl]but-3-enoic acid CAS Name: 2-[6-[(3,5-dimethylphenyl)thio]-5-ethyl-2,4-dioxo-1-pyrimidinyl]-3-butenoic acid IUPAC Name: 2-[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-dioxopyrimidin-1-yl]but-3-enoic acid Traditional Name: 2-[6-[(3,5-dimethylphenyl)thio]-5-ethyl-2,4-diketo-pyrimidin-1-yl]but-3-enoic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)C(C=C)C(=O)O)SC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)C(C=C)C(=O)O)SC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C18H20N2O4S/c1-5-13-15(21)19-18(24)20(14(6-2)17(22)23)16(13)25-12-8-10(3)7-11(4)9-12/h6-9,14H,2,5H2,1,3-4H3,(H,22,23)(H,19,21,24)