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

Systemtic Name: (6R)-2-(butanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6R)-2-(butanoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6R)-6-methyl-2-(1-oxobutylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6R)-2-(butanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6R)-2-butyramido-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-3-4-11(16)15-13-12(14(17)18)9-6-5-8(2)7-10(9)19-13/h8H,3-7H2,1-2H3,(H,15,16)(H,17,18)/t8-/m1/s1