ethyl 2-[[(2R)-2-butanoyloxypropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2R)-2-butanoyloxypropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(2R)-2-butanoyloxypropanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2R)-1-oxo-2-(1-oxobutoxy)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2R)-2-butanoyloxypropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(2R)-2-butyryloxypropanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H25NO5S MolecularWeight: 367.4598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

Isomeric SMILES

CCCC(=O)O[C@H](C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

InChI

InChI=1S/C18H25NO5S/c1-4-8-14(20)24-11(3)16(21)19-17-15(18(22)23-5-2)12-9-6-7-10-13(12)25-17/h11H,4-10H2,1-3H3,(H,19,21)/t11-/m1/s1