2-[(9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid CAS Name: 2-[(9-ethoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)thio]acetic acid IUPAC Name: 2-[(9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid Traditional Name: 2-[(9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)thio]acetic acid Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)SCC(=O)O

Isomeric SMILES

CCOC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)SCC(=O)O

InChI

InChI=1S/C21H18N2O4S/c1-2-26-16-10-6-9-14-11-15-20(27-18(14)16)22-19(13-7-4-3-5-8-13)23-21(15)28-12-17(24)25/h3-10H,2,11-12H2,1H3,(H,24,25)