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

Systemtic Name: (2-oxidanylideneazepan-3-yl) 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: (2-oxoazepan-3-yl) 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 (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-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-ketoazepan-3-yl) ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)OC3CCCCNC3=O)N4C=CC=C4)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)OC3CCCCNC3=O)N4C=CC=C4)C

InChI

InChI=1S/C20H21N3O3S/c1-12-11-13(2)22-19-15(12)16(23-9-5-6-10-23)17(27-19)20(25)26-14-7-3-4-8-21-18(14)24/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,21,24)