4-[(3-azanyl-4,5,6-trimethyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(3-azanyl-4,5,6-trimethyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]benzoic acid Openeye Name: 4-[(3-amino-4,5,6-trimethyl-thieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid CAS Name: 4-[[(3-amino-4,5,6-trimethyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid Traditional Name: 4-[(3-amino-4,5,6-trimethyl-thieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C(=C1C)C(=C(S2)C(=O)NC3=CC=C(C=C3)C(=O)O)N)C

Isomeric SMILES

CC1=C(N=C2C(=C1C)C(=C(S2)C(=O)NC3=CC=C(C=C3)C(=O)O)N)C

InChI

InChI=1S/C18H17N3O3S/c1-8-9(2)13-14(19)15(25-17(13)20-10(8)3)16(22)21-12-6-4-11(5-7-12)18(23)24/h4-7H,19H2,1-3H3,(H,21,22)(H,23,24)