4-[2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(9-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]benzoic acid Formula: C27H21N3O4S MolecularWeight: 483.53834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C27H21N3O4S/c1-16-6-5-9-19-14-21-25(34-23(16)19)29-24(17-7-3-2-4-8-17)30-26(21)35-15-22(31)28-20-12-10-18(11-13-20)27(32)33/h2-13H,14-15H2,1H3,(H,28,31)(H,32,33)