dodecyl 4-chloranyl-3-[[2-(1,3-dithiolan-2-yl)-2-isocyano-ethanoyl]amino]benzoate

Systemtic Name: dodecyl 4-chloranyl-3-[[2-(1,3-dithiolan-2-yl)-2-isocyano-ethanoyl]amino]benzoate Openeye Name: dodecyl 4-chloro-3-[[2-(1,3-dithiolan-2-yl)-2-isocyano-acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(1,3-dithiolan-2-yl)-2-isocyano-1-oxoethyl]amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3-[[2-(1,3-dithiolan-2-yl)-2-isocyanoacetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(1,3-dithiolan-2-yl)-2-isocyano-acetyl]amino]benzoic acid lauryl ester Formula: C25H35ClN2O3S2 MolecularWeight: 511.14

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C2SCCS2)[N+]#[C-]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C2SCCS2)[N+]#[C-]

InChI

InChI=1S/C25H35ClN2O3S2/c1-3-4-5-6-7-8-9-10-11-12-15-31-24(30)19-13-14-20(26)21(18-19)28-23(29)22(27-2)25-32-16-17-33-25/h13-14,18,22,25H,3-12,15-17H2,1H3,(H,28,29)