2-[[2-(4-chlorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[2-(4-chlorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoate Openeye Name: 2-[[2-(4-chlorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetate CAS Name: 2-[[2-(4-chlorophenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]thio]acetate IUPAC Name: 2-[[2-(4-chlorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetate Traditional Name: 2-[[2-(4-chlorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]thio]acetate Formula: C20H14ClN2O3S- MolecularWeight: 397.85476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C2)C(=NC(=N3)C4=CC=C(C=C4)Cl)SCC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C2)C(=NC(=N3)C4=CC=C(C=C4)Cl)SCC(=O)[O-]

InChI

InChI=1S/C20H15ClN2O3S/c1-11-2-7-16-13(8-11)9-15-19(26-16)22-18(12-3-5-14(21)6-4-12)23-20(15)27-10-17(24)25/h2-8H,9-10H2,1H3,(H,24,25)/p-1