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

Systemtic Name: 3-[2-[(9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]benzoic acid Formula: C27H21N3O5S MolecularWeight: 499.53774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)SCC(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

COC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)SCC(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C27H21N3O5S/c1-34-21-12-6-9-17-14-20-25(35-23(17)21)29-24(16-7-3-2-4-8-16)30-26(20)36-15-22(31)28-19-11-5-10-18(13-19)27(32)33/h2-13H,14-15H2,1H3,(H,28,31)(H,32,33)