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

Systemtic Name: 2-[(4-butylcyclohexyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Openeye Name: 2-[(4-butylcyclohexanecarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid CAS Name: 2-[[(4-butylcyclohexyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid IUPAC Name: 2-[(4-butylcyclohexanecarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Traditional Name: 2-[(4-butylcyclohexanecarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Formula: C21H31NO3S MolecularWeight: 377.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)O

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)O

InChI

InChI=1S/C21H31NO3S/c1-2-3-7-14-10-12-15(13-11-14)19(23)22-20-18(21(24)25)16-8-5-4-6-9-17(16)26-20/h14-15H,2-13H2,1H3,(H,22,23)(H,24,25)