4-[[3-azanyl-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridin-2-yl]carbonylamino]benzoate

Systemtic Name: 4-[[3-azanyl-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridin-2-yl]carbonylamino]benzoate Openeye Name: 4-[[3-amino-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridine-2-carbonyl]amino]benzoate CAS Name: 4-[[[3-amino-4-(4-methoxyphenyl)-6-phenyl-2-thieno[2,3-b]pyridinyl]-oxomethyl]amino]benzoate IUPAC Name: 4-[[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carbonyl]amino]benzoate Traditional Name: 4-[[3-amino-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridine-2-carbonyl]amino]benzoate Formula: C28H20N3O4S- MolecularWeight: 494.5411

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)NC4=CC=C(C=C4)C(=O)[O-])N)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)NC4=CC=C(C=C4)C(=O)[O-])N)C5=CC=CC=C5

InChI

InChI=1S/C28H21N3O4S/c1-35-20-13-9-16(10-14-20)21-15-22(17-5-3-2-4-6-17)31-27-23(21)24(29)25(36-27)26(32)30-19-11-7-18(8-12-19)28(33)34/h2-15H,29H2,1H3,(H,30,32)(H,33,34)/p-1