2-methyl-3-thiophen-2-ylcarbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid

Systemtic Name: 2-methyl-3-thiophen-2-ylcarbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 2-methyl-3-(thiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 2-methyl-3-[oxo(thiophen-2-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 2-methyl-3-(thiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 2-methyl-3-(2-thenoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=CC=CS3

InChI

InChI=1S/C16H17NO3S/c1-10-9-12-11(16(19)20)5-2-3-7-17(12)14(10)15(18)13-6-4-8-21-13/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,19,20)