[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)[C@H](C#N)C(=N)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/t15-/m1/s1