3-[5-methyl-4-[(Z)-C-methyl-N-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]carbonimidoyl]furan-2-yl]propanoate

Systemtic Name: 3-[5-methyl-4-[(Z)-C-methyl-N-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]carbonimidoyl]furan-2-yl]propanoate Openeye Name: 3-[5-methyl-4-[(Z)-C-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methylcarbamothioylamino]carbonimidoyl]-2-furyl]propanoate CAS Name: 3-[5-methyl-4-[(1Z)-1-[[[[(2S)-2-oxolanyl]methylamino]-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-furanyl]propanoate IUPAC Name: 3-[5-methyl-4-[(Z)-C-methyl-N-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]carbonimidoyl]furan-2-yl]propanoate Traditional Name: 3-[5-methyl-4-[(Z)-C-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methylthiocarbamoylamino]carbonimidoyl]-2-furyl]propionate Formula: C16H22N3O4S- MolecularWeight: 352.42858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CCC(=O)[O-])C(=NNC(=S)NCC2CCCO2)C

Isomeric SMILES

CC1=C(C=C(O1)CCC(=O)[O-])/C(=N\NC(=S)NC[C@@H]2CCCO2)/C

InChI

InChI=1S/C16H23N3O4S/c1-10(14-8-12(23-11(14)2)5-6-15(20)21)18-19-16(24)17-9-13-4-3-7-22-13/h8,13H,3-7,9H2,1-2H3,(H,20,21)(H2,17,19,24)/p-1/b18-10-/t13-/m0/s1