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

Systemtic Name: 2-methyl-3-thiophen-3-ylcarbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 2-methyl-3-(thiophene-3-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 2-methyl-3-[oxo(3-thiophenyl)methyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 2-methyl-3-(thiophene-3-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 2-methyl-3-(3-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=CSC=C3

Isomeric SMILES

CC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=CSC=C3

InChI

InChI=1S/C16H17NO3S/c1-10-8-13-12(16(19)20)4-2-3-6-17(13)14(10)15(18)11-5-7-21-9-11/h5,7-9,12H,2-4,6H2,1H3,(H,19,20)