[(3R)-5-[3-(2-chlorophenyl)sulfanylpropanoyloxy]-3-cyano-4-oxidanylidene-pentan-2-ylidene]azanium

Systemtic Name: [(3R)-5-[3-(2-chlorophenyl)sulfanylpropanoyloxy]-3-cyano-4-oxidanylidene-pentan-2-ylidene]azanium Openeye Name: [(2R)-4-[3-(2-chlorophenyl)sulfanylpropanoyloxy]-2-cyano-1-methyl-3-oxo-butylidene]ammonium CAS Name: [(3R)-5-[3-[(2-chlorophenyl)thio]-1-oxopropoxy]-3-cyano-4-oxopentan-2-ylidene]ammonium IUPAC Name: [(3R)-5-[3-(2-chlorophenyl)sulfanylpropanoyloxy]-3-cyano-4-oxopentan-2-ylidene]azanium Traditional Name: [(2R)-4-[3-[(2-chlorophenyl)thio]propanoyloxy]-2-cyano-3-keto-1-methyl-butylidene]ammonium Formula: C15H16ClN2O3S+ MolecularWeight: 339.81714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH2+])C(C#N)C(=O)COC(=O)CCSC1=CC=CC=C1Cl

Isomeric SMILES

CC(=[NH2+])[C@H](C#N)C(=O)COC(=O)CCSC1=CC=CC=C1Cl

InChI

InChI=1S/C15H15ClN2O3S/c1-10(18)11(8-17)13(19)9-21-15(20)6-7-22-14-5-3-2-4-12(14)16/h2-5,11,18H,6-7,9H2,1H3/p+1/t11-/m0/s1