(6R)-6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (6R)-6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6R)-6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-methyl-2-(1-oxopropylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6R)-6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-methyl-2-propionamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C13H16NO3S- MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-3-10(15)14-12-11(13(16)17)8-5-4-7(2)6-9(8)18-12/h7H,3-6H2,1-2H3,(H,14,15)(H,16,17)/p-1/t7-/m1/s1