3-oxidanylidenebutan-2-yl 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)OC(C)C(=O)C)N3C=CC=C3)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)OC(C)C(=O)C)N3C=CC=C3)C

InChI

InChI=1S/C18H18N2O3S/c1-10-9-11(2)19-17-14(10)15(20-7-5-6-8-20)16(24-17)18(22)23-13(4)12(3)21/h5-9,13H,1-4H3