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

Systemtic Name: 2-[(4-butylcyclohexyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[(4-butylcyclohexanecarbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-butylcyclohexyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[(4-butylcyclohexanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-butylcyclohexanecarbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C20H28NO3S- MolecularWeight: 362.50622

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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)/p-1