[(3S)-3-cyano-5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]carbonyloxy-4-oxidanylidene-pentan-2-ylidene]azanium

Systemtic Name: [(3S)-3-cyano-5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]carbonyloxy-4-oxidanylidene-pentan-2-ylidene]azanium Openeye Name: [(2S)-2-cyano-1-methyl-4-[2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoyl]oxy-3-oxo-butylidene]ammonium CAS Name: [(3S)-3-cyano-5-[[2-[[(4-methyl-2-thiazolyl)thio]methyl]phenyl]-oxomethoxy]-4-oxopentan-2-ylidene]ammonium IUPAC Name: [(3S)-3-cyano-5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]oxy-4-oxopentan-2-ylidene]azanium Traditional Name: [(2S)-2-cyano-3-keto-1-methyl-4-[2-[[(4-methylthiazol-2-yl)thio]methyl]benzoyl]oxy-butylidene]ammonium Formula: C18H18N3O3S2+ MolecularWeight: 388.48382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)C(C#N)C(=[NH2+])C

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)[C@H](C#N)C(=[NH2+])C

InChI

InChI=1S/C18H17N3O3S2/c1-11-9-25-18(21-11)26-10-13-5-3-4-6-14(13)17(23)24-8-16(22)15(7-19)12(2)20/h3-6,9,15,20H,8,10H2,1-2H3/p+1/t15-/m1/s1