2-[(4-butylcyclohexyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[(4-butylcyclohexyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[(4-butylcyclohexanecarbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[(4-butylcyclohexyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(4-butylcyclohexanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[(4-butylcyclohexanecarbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C20H29NO3S MolecularWeight: 363.51416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O

InChI

InChI=1S/C20H29NO3S/c1-2-3-6-13-9-11-14(12-10-13)18(22)21-19-17(20(23)24)15-7-4-5-8-16(15)25-19/h13-14H,2-12H2,1H3,(H,21,22)(H,23,24)