ethyl 2-[2-(4-aminophenyl)carbonyloxybutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-aminophenyl)carbonyloxybutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-aminobenzoyl)oxybutanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-aminophenyl)-oxomethoxy]-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-aminobenzoyl)oxybutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(4-aminobenzoyl)oxybutanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)OC(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)OC(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C22H26N2O5S/c1-3-16(29-21(26)13-9-11-14(23)12-10-13)19(25)24-20-18(22(27)28-4-2)15-7-5-6-8-17(15)30-20/h9-12,16H,3-8,23H2,1-2H3,(H,24,25)