diethyl 2-[[6-(sulfanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[6-(sulfanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[6-(sulfanylmethyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]pentanedioate CAS Name: 2-[[[6-(mercaptomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[6-(sulfanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]pentanedioate Traditional Name: 2-[[6-(mercaptomethyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]glutaric acid diethyl ester Formula: C19H27NO5S2 MolecularWeight: 413.55138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC2=C(S1)CC(CC2)CS

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC2=C(S1)CC(CC2)CS

InChI

InChI=1S/C19H27NO5S2/c1-3-24-17(21)8-7-14(19(23)25-4-2)20-18(22)16-10-13-6-5-12(11-26)9-15(13)27-16/h10,12,14,26H,3-9,11H2,1-2H3,(H,20,22)