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

Systemtic Name: methyl 2-[(9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate CAS Name: 2-[(9-ethoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate Traditional Name: 2-[(9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)thio]acetic acid methyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4S/c1-3-27-17-11-7-10-15-12-16-21(28-19(15)17)23-20(14-8-5-4-6-9-14)24-22(16)29-13-18(25)26-2/h4-11H,3,12-13H2,1-2H3