propan-2-yl 2-cyano-4,4-dimethyl-6-thiophen-2-ylcarbonyl-1,5-dihydropyrrolo[2,3-d]azepine-8-carboxylate

Systemtic Name: propan-2-yl 2-cyano-4,4-dimethyl-6-thiophen-2-ylcarbonyl-1,5-dihydropyrrolo[2,3-d]azepine-8-carboxylate Openeye Name: isopropyl 2-cyano-4,4-dimethyl-6-(thiophene-2-carbonyl)-1,5-dihydropyrrolo[2,3-d]azepine-8-carboxylate CAS Name: 2-cyano-4,4-dimethyl-6-[oxo(thiophen-2-yl)methyl]-1,5-dihydropyrrolo[2,3-d]azepine-8-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-cyano-4,4-dimethyl-6-(thiophene-2-carbonyl)-1,5-dihydropyrrolo[2,3-d]azepine-8-carboxylate Traditional Name: 2-cyano-4,4-dimethyl-6-(2-thenoyl)-1,5-dihydropyrrol[2,3-d]azepine-8-carboxylic acid isopropyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CN(CC(C2=C1NC(=C2)C#N)(C)C)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)OC(=O)C1=CN(CC(C2=C1NC(=C2)C#N)(C)C)C(=O)C3=CC=CS3

InChI

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