[(3R)-3-cyano-5-[2-[(5-methylthiophen-2-yl)carbonylamino]ethanoyloxy]-4-oxidanylidene-pent-1-en-2-yl]azanium

Systemtic Name: [(3R)-3-cyano-5-[2-[(5-methylthiophen-2-yl)carbonylamino]ethanoyloxy]-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2R)-2-cyano-1-methylene-4-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxy-3-oxo-butyl]ammonium CAS Name: [(3R)-3-cyano-5-[2-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]-1-oxoethoxy]-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3R)-3-cyano-5-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxy-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1R)-1-cyano-2-keto-3-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxy-propyl]vinylammonium Formula: C14H16N3O4S+ MolecularWeight: 322.35954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NCC(=O)OCC(=O)C(C#N)C(=C)[NH3+]

Isomeric SMILES

CC1=CC=C(S1)C(=O)NCC(=O)OCC(=O)[C@@H](C#N)C(=C)[NH3+]

InChI

InChI=1S/C14H15N3O4S/c1-8-3-4-12(22-8)14(20)17-6-13(19)21-7-11(18)10(5-15)9(2)16/h3-4,10H,2,6-7,16H2,1H3,(H,17,20)/p+1/t10-/m0/s1