[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2R)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2R)-3-methyl-2-(2-thenoylamino)butyric acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C(C#N)C(=N)C)NC(=O)C1=CC=CS1

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)[C@H](C#N)C(=N)C)NC(=O)C1=CC=CS1

InChI

InChI=1S/C16H19N3O4S/c1-9(2)14(19-15(21)13-5-4-6-24-13)16(22)23-8-12(20)11(7-17)10(3)18/h4-6,9,11,14,18H,8H2,1-3H3,(H,19,21)/t11-,14-/m1/s1