[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanoate CAS Name: (2S)-2-[(1-propyl-2-benzimidazolyl)thio]propanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanoate Traditional Name: (2S)-2-[(1-propylbenzimidazol-2-yl)thio]propionic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SC(C)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1S[C@@H](C)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C19H22N4O3S/c1-4-9-23-16-8-6-5-7-15(16)22-19(23)27-13(3)18(25)26-11-17(24)14(10-20)12(2)21/h5-8,13-14,21H,4,9,11H2,1-3H3/t13-,14+/m0/s1