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

Systemtic Name: methyl 4-[[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S2/c1-3-11-6-7-13-12(9-11)10-14(25-13)16(22)19-20-17(24)18-8-4-5-15(21)23-2/h10-11H,3-9H2,1-2H3,(H,19,22)(H2,18,20,24)/t11-/m0/s1