[2-isocyano-4-[2-(3-methoxypropylcarbamoyl)hydrazinyl]-5-methyl-phenyl] 2-methoxyethanesulfinate

Systemtic Name: [2-isocyano-4-[2-(3-methoxypropylcarbamoyl)hydrazinyl]-5-methyl-phenyl] 2-methoxyethanesulfinate Openeye Name: [2-isocyano-4-[2-(3-methoxypropylcarbamoyl)hydrazino]-5-methyl-phenyl] 2-methoxyethanesulfinate CAS Name: 2-methoxyethanesulfinic acid [2-isocyano-4-[[(3-methoxypropylamino)-oxomethyl]hydrazo]-5-methylphenyl] ester IUPAC Name: [2-isocyano-4-[2-(3-methoxypropylcarbamoyl)hydrazinyl]-5-methylphenyl] 2-methoxyethanesulfinate Traditional Name: 2-methoxyethanesulfinic acid [2-isocyano-4-[N'-(3-methoxypropylcarbamoyl)hydrazino]-5-methyl-phenyl] ester Formula: C16H24N4O5S MolecularWeight: 384.45056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NNC(=O)NCCCOC)[N+]#[C-])OS(=O)CCOC

Isomeric SMILES

CC1=CC(=C(C=C1NNC(=O)NCCCOC)[N+]#[C-])OS(=O)CCOC

InChI

InChI=1S/C16H24N4O5S/c1-12-10-15(25-26(22)9-8-24-4)14(17-2)11-13(12)19-20-16(21)18-6-5-7-23-3/h10-11,19H,5-9H2,1,3-4H3,(H2,18,20,21)