methyl 2-[2-(3-morpholin-4-ylpropylamino)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-morpholin-4-ylpropylamino)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-morpholinopropylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[3-(4-morpholinyl)propylamino]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-morpholin-4-ylpropylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-morpholinopropylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H29N3O4S MolecularWeight: 395.51626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CNCCCN3CCOCC3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CNCCCN3CCOCC3

InChI

InChI=1S/C19H29N3O4S/c1-25-19(24)17-14-5-2-3-6-15(14)27-18(17)21-16(23)13-20-7-4-8-22-9-11-26-12-10-22/h20H,2-13H2,1H3,(H,21,23)