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

Systemtic Name: 5-[(3-azanyl-6-propan-2-yl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[(3-amino-6-isopropyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-2-hydroxy-benzoic acid CAS Name: 5-[[(3-amino-6-propan-2-yl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[(3-amino-6-propan-2-ylthieno[2,3-b]pyridine-2-carbonyl)amino]-2-hydroxybenzoic acid Traditional Name: 5-[(3-amino-6-isopropyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-8(2)12-5-4-10-14(19)15(26-17(10)21-12)16(23)20-9-3-6-13(22)11(7-9)18(24)25/h3-8,22H,19H2,1-2H3,(H,20,23)(H,24,25)