ethyl 2-[2-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-[4-oxo-4-(2-thienyl)butanoyl]oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(1,4-dioxo-4-thiophen-2-ylbutoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[4-keto-4-(2-thienyl)butanoyl]oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H25NO6S2 MolecularWeight: 463.567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C22H25NO6S2/c1-3-28-22(27)19-14-7-4-5-8-16(14)31-21(19)23-20(26)13(2)29-18(25)11-10-15(24)17-9-6-12-30-17/h6,9,12-13H,3-5,7-8,10-11H2,1-2H3,(H,23,26)