methyl (6S)-6-ethyl-2-(pentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6S)-6-ethyl-2-(pentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-6-ethyl-2-(pentanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-ethyl-2-(1-oxopentylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-ethyl-2-(pentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-ethyl-2-(valerylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C2=C(S1)CC(CC2)CC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3S/c1-4-6-7-14(19)18-16-15(17(20)21-3)12-9-8-11(5-2)10-13(12)22-16/h11H,4-10H2,1-3H3,(H,18,19)/t11-/m0/s1