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

Systemtic Name: ethyl (7R)-7-oxidanyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (7R)-7-hydroxy-2-(propanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (7R)-7-hydroxy-2-(1-oxopropylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (7R)-7-hydroxy-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (7R)-7-hydroxy-2-propionamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S/c1-3-10(17)15-13-11(14(18)19-4-2)8-6-5-7-9(16)12(8)20-13/h9,16H,3-7H2,1-2H3,(H,15,17)/t9-/m1/s1