2-butyl-3-(3-methylthiophen-2-yl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid

Systemtic Name: 2-butyl-3-(3-methylthiophen-2-yl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 2-butyl-3-(3-methylthiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 2-butyl-3-[(3-methyl-2-thiophenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 2-butyl-3-(3-methylthiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 2-butyl-3-(3-methylthiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=C(C=CS3)C

Isomeric SMILES

CCCCC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=C(C=CS3)C

InChI

InChI=1S/C20H25NO3S/c1-3-4-7-14-12-16-15(20(23)24)8-5-6-10-21(16)17(14)18(22)19-13(2)9-11-25-19/h9,11-12,15H,3-8,10H2,1-2H3,(H,23,24)