4-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-3-methyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 4-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-3-methyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 4-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 4-[[(1-cyclopropyl-2-imidazolyl)thio]methyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylic acid IUPAC Name: 4-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 4-[[(1-cyclopropylimidazol-2-yl)thio]methyl]-6-keto-3-methyl-7H-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=NC=CN3C4CC4)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=NC=CN3C4CC4)C(=O)O

InChI

InChI=1S/C16H15N3O3S2/c1-8-12-9(6-11(20)18-14(12)24-13(8)15(21)22)7-23-16-17-4-5-19(16)10-2-3-10/h4-6,10H,2-3,7H2,1H3,(H,18,20)(H,21,22)