3-[[3-azanyl-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[3-azanyl-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-2-yl]carbonylamino]benzoic acid Openeye Name: 3-[[3-amino-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid CAS Name: 3-[[[3-amino-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid Traditional Name: 3-[[3-amino-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)NC3=CC=CC(=C3)C(=O)O)N

Isomeric SMILES

CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)NC3=CC=CC(=C3)C(=O)O)N

InChI

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