[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C15H20N4O3S/c1-9(2)4-5-18-15-19-12(8-23-15)14(21)22-7-13(20)11(6-16)10(3)17/h8-9,11,17H,4-5,7H2,1-3H3,(H,18,19)/t11-/m1/s1