5-[(3-azanyl-4,6-diphenyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-2-oxidanyl-benzoate

Systemtic Name: 5-[(3-azanyl-4,6-diphenyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-2-oxidanyl-benzoate Openeye Name: 5-[(3-amino-4,6-diphenyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-2-hydroxy-benzoate CAS Name: 5-[[(3-amino-4,6-diphenyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]-2-hydroxybenzoate IUPAC Name: 5-[(3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carbonyl)amino]-2-hydroxybenzoate Traditional Name: 5-[(3-amino-4,6-diphenyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-2-hydroxy-benzoate Formula: C27H18N3O4S- MolecularWeight: 480.51452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H19N3O4S/c28-23-22-18(15-7-3-1-4-8-15)14-20(16-9-5-2-6-10-16)30-26(22)35-24(23)25(32)29-17-11-12-21(31)19(13-17)27(33)34/h1-14,31H,28H2,(H,29,32)(H,33,34)/p-1