nitro (2Z)-4-(phenylmethylsulfanyl)-2-(1,3-thiazinan-2-ylidene)butanoate

Systemtic Name: nitro (2Z)-4-(phenylmethylsulfanyl)-2-(1,3-thiazinan-2-ylidene)butanoate Openeye Name: nitro (2Z)-4-benzylsulfanyl-2-(1,3-thiazinan-2-ylidene)butanoate CAS Name: (2Z)-4-(phenylmethylthio)-2-(1,3-thiazinan-2-ylidene)butanoic acid nitro ester IUPAC Name: nitro (2Z)-4-benzylsulfanyl-2-(1,3-thiazinan-2-ylidene)butanoate Traditional Name: (2Z)-4-(benzylthio)-2-(1,3-thiazinan-2-ylidene)butyric acid nitro ester Formula: C15H18N2O4S2 MolecularWeight: 354.44442

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C(CCSCC2=CC=CC=C2)C(=O)O[N+](=O)[O-])SC1

Isomeric SMILES

C1CN/C(=C(\CCSCC2=CC=CC=C2)/C(=O)O[N+](=O)[O-])/SC1

InChI

InChI=1S/C15H18N2O4S2/c18-15(21-17(19)20)13(14-16-8-4-9-23-14)7-10-22-11-12-5-2-1-3-6-12/h1-3,5-6,16H,4,7-11H2/b14-13-