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

Systemtic Name: 2-[6-(4-chlorophenyl)-4-(furan-2-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[6-(4-chlorophenyl)-4-(2-furyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[6-(4-chlorophenyl)-4-(2-furanyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[6-(4-chlorophenyl)-4-(furan-2-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[6-(4-chlorophenyl)-4-(2-furyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O3S/c17-10-5-3-9(4-6-10)14-11(8-13(20)21)15(19-16(23)18-14)12-2-1-7-22-12/h1-7,15H,8H2,(H,20,21)(H2,18,19,23)