methyl 6-[[[(5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[[(5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[[(5R)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[[(5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[[(5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]carbamothioylamino]hexanoate Traditional Name: 6-[[[(5R)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H29N3O3S2 MolecularWeight: 411.58186

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)C=C(S2)C(=O)NNC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C19H29N3O3S2/c1-3-13-8-9-15-14(11-13)12-16(27-15)18(24)21-22-19(26)20-10-6-4-5-7-17(23)25-2/h12-13H,3-11H2,1-2H3,(H,21,24)(H2,20,22,26)/t13-/m1/s1