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

Systemtic Name: dodecyl 4-chloranyl-3-[[2-isocyano-3-(1,3-oxathiolan-2-yl)propanoyl]amino]benzoate Openeye Name: dodecyl 4-chloro-3-[[2-isocyano-3-(1,3-oxathiolan-2-yl)propanoyl]amino]benzoate CAS Name: 4-chloro-3-[[2-isocyano-3-(1,3-oxathiolan-2-yl)-1-oxopropyl]amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3-[[2-isocyano-3-(1,3-oxathiolan-2-yl)propanoyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-isocyano-3-(1,3-oxathiolan-2-yl)propanoyl]amino]benzoic acid lauryl ester Formula: C26H37ClN2O4S MolecularWeight: 509.10098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(CC2OCCS2)[N+]#[C-]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(CC2OCCS2)[N+]#[C-]

InChI

InChI=1S/C26H37ClN2O4S/c1-3-4-5-6-7-8-9-10-11-12-15-33-26(31)20-13-14-21(27)22(18-20)29-25(30)23(28-2)19-24-32-16-17-34-24/h13-14,18,23-24H,3-12,15-17,19H2,1H3,(H,29,30)