3-[2-[(7-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 3-[2-[(7-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 3-[[2-[(7-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(7-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[(7-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(7-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]benzoate Formula: C27H20N3O4S- MolecularWeight: 482.5304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)SCC(=O)NC5=CC=CC(=C5)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)SCC(=O)NC5=CC=CC(=C5)C(=O)[O-]

InChI

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