5-[(3-azanyl-6-propyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(3-azanyl-6-propyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[(3-amino-6-propyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-2-hydroxy-benzoic acid CAS Name: 5-[[(3-amino-6-propyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-2-hydroxybenzoic acid Traditional Name: 5-[(3-amino-6-propyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-2-hydroxy-benzoic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C1)C(=C(S2)C(=O)NC3=CC(=C(C=C3)O)C(=O)O)N

Isomeric SMILES

CCCC1=NC2=C(C=C1)C(=C(S2)C(=O)NC3=CC(=C(C=C3)O)C(=O)O)N

InChI

InChI=1S/C18H17N3O4S/c1-2-3-9-4-6-11-14(19)15(26-17(11)21-9)16(23)20-10-5-7-13(22)12(8-10)18(24)25/h4-8,22H,2-3,19H2,1H3,(H,20,23)(H,24,25)