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

Systemtic Name: ethyl 4-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-3-methyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 4-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 4-[[(1-cyclopropyl-2-imidazolyl)thio]methyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 4-[[(1-cyclopropylimidazol-2-yl)thio]methyl]-6-keto-3-methyl-7H-thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)NC(=O)C=C2CSC3=NC=CN3C4CC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)NC(=O)C=C2CSC3=NC=CN3C4CC4)C

InChI

InChI=1S/C18H19N3O3S2/c1-3-24-17(23)15-10(2)14-11(8-13(22)20-16(14)26-15)9-25-18-19-6-7-21(18)12-4-5-12/h6-8,12H,3-5,9H2,1-2H3,(H,20,22)