(6R)-6-tert-butyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (6R)-6-tert-butyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6R)-6-tert-butyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-tert-butyl-2-[(2-methyl-1-oxopropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6R)-6-tert-butyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-tert-butyl-2-(isobutyrylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C17H24NO3S- MolecularWeight: 322.44236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=C(C2=C(S1)C[C@@H](CC2)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C17H25NO3S/c1-9(2)14(19)18-15-13(16(20)21)11-7-6-10(17(3,4)5)8-12(11)22-15/h9-10H,6-8H2,1-5H3,(H,18,19)(H,20,21)/p-1/t10-/m1/s1