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

Systemtic Name: ethyl (7R)-7-oxidanyl-2-(pentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (7R)-7-hydroxy-2-(pentanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (7R)-7-hydroxy-2-(1-oxopentylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (7R)-7-hydroxy-2-(pentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (7R)-7-hydroxy-2-(valerylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C2=C(S1)C(CCC2)O)C(=O)OCC

Isomeric SMILES

CCCCC(=O)NC1=C(C2=C(S1)[C@@H](CCC2)O)C(=O)OCC

InChI

InChI=1S/C16H23NO4S/c1-3-5-9-12(19)17-15-13(16(20)21-4-2)10-7-6-8-11(18)14(10)22-15/h11,18H,3-9H2,1-2H3,(H,17,19)/t11-/m1/s1