propan-2-yl 2-ethyl-3-thiophen-2-ylcarbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: propan-2-yl 2-ethyl-3-thiophen-2-ylcarbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopropyl 2-ethyl-3-(thiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 2-ethyl-3-[oxo(thiophen-2-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-ethyl-3-(thiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 2-ethyl-3-(2-thenoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid isopropyl ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2CCCCC(C2=C1)C(=O)OC(C)C)C(=O)C3=CC=CS3

Isomeric SMILES

CCC1=C(N2CCCCC(C2=C1)C(=O)OC(C)C)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H25NO3S/c1-4-14-12-16-15(20(23)24-13(2)3)8-5-6-10-21(16)18(14)19(22)17-9-7-11-25-17/h7,9,11-13,15H,4-6,8,10H2,1-3H3