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

Systemtic Name: 2-[(4-tert-butylphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Openeye Name: 2-[(4-tert-butylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid IUPAC Name: 2-[(4-tert-butylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)O

InChI

InChI=1S/C21H25NO3S/c1-21(2,3)14-11-9-13(10-12-14)18(23)22-19-17(20(24)25)15-7-5-4-6-8-16(15)26-19/h9-12H,4-8H2,1-3H3,(H,22,23)(H,24,25)