2-(3-methylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid

Systemtic Name: 2-(3-methylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Openeye Name: 2-(3-methylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid IUPAC Name: 2-(3-methylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Traditional Name: 2-(isovalerylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)O

InChI

InChI=1S/C15H21NO3S/c1-9(2)8-12(17)16-14-13(15(18)19)10-6-4-3-5-7-11(10)20-14/h9H,3-8H2,1-2H3,(H,16,17)(H,18,19)