(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)COC(=O)N2CCC3=C(C2)SC(=C3C#N)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(OCC(O1)COC(=O)N2CCC3=C(C2)SC(=C3C#N)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H23N3O5S/c1-22(2)29-13-15(30-22)12-28-21(27)25-9-8-16-17(10-23)20(31-18(16)11-25)24-19(26)14-6-4-3-5-7-14/h3-7,15H,8-9,11-13H2,1-2H3,(H,24,26)