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

Systemtic Name: (6R)-2-[(4-butylcyclohexyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6R)-2-[(4-butylcyclohexanecarbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[(4-butylcyclohexyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6R)-2-[(4-butylcyclohexanecarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[(4-butylcyclohexanecarbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C21H30NO3S- MolecularWeight: 376.5328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)[O-]

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=C(C3=C(S2)C[C@@H](CC3)C)C(=O)[O-]

InChI

InChI=1S/C21H31NO3S/c1-3-4-5-14-7-9-15(10-8-14)19(23)22-20-18(21(24)25)16-11-6-13(2)12-17(16)26-20/h13-15H,3-12H2,1-2H3,(H,22,23)(H,24,25)/p-1/t13-,14?,15?/m1/s1