(6R)-2-(butanoylamino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: (6R)-2-(butanoylamino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6R)-2-(butanoylamino)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6R)-6-tert-butyl-2-(1-oxobutylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6R)-2-(butanoylamino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6R)-6-tert-butyl-2-butyramido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3S/c1-5-6-13(19)18-15-14(16(20)21)11-8-7-10(17(2,3)4)9-12(11)22-15/h10H,5-9H2,1-4H3,(H,18,19)(H,20,21)/t10-/m1/s1