2-[4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4-(4-methoxyphenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-(4-methoxyphenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C19H18N2O3S/c1-24-14-9-7-13(8-10-14)18-15(11-16(22)23)17(20-19(25)21-18)12-5-3-2-4-6-12/h2-10,18H,11H2,1H3,(H,22,23)(H2,20,21,25)