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

Systemtic Name: propan-2-yl 3-thiophen-3-ylcarbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopropyl 3-(thiophene-3-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-[oxo(3-thiophenyl)methyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(thiophene-3-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-(3-thenoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid isopropyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCCCN2C1=CC=C2C(=O)C3=CSC=C3

Isomeric SMILES

CC(C)OC(=O)C1CCCCN2C1=CC=C2C(=O)C3=CSC=C3

InChI

InChI=1S/C18H21NO3S/c1-12(2)22-18(21)14-5-3-4-9-19-15(14)6-7-16(19)17(20)13-8-10-23-11-13/h6-8,10-12,14H,3-5,9H2,1-2H3