propan-2-yl 2-methyl-3-(3-methylthiophen-2-yl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: propan-2-yl 2-methyl-3-(3-methylthiophen-2-yl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopropyl 2-methyl-3-(3-methylthiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 2-methyl-3-[(3-methyl-2-thiophenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-methyl-3-(3-methylthiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 2-methyl-3-(3-methylthiophene-2-carbonyl)-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:

CC1=C(SC=C1)C(=O)C2=C(C=C3N2CCCCC3C(=O)OC(C)C)C

Isomeric SMILES

CC1=C(SC=C1)C(=O)C2=C(C=C3N2CCCCC3C(=O)OC(C)C)C

InChI

InChI=1S/C20H25NO3S/c1-12(2)24-20(23)15-7-5-6-9-21-16(15)11-14(4)17(21)18(22)19-13(3)8-10-25-19/h8,10-12,15H,5-7,9H2,1-4H3