[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C20H21N5O3S/c1-12(2)7-8-22-20-25-16(11-29-20)19(27)28-10-17(26)13(9-21)18-23-14-5-3-4-6-15(14)24-18/h3-6,11-12,23-24H,7-8,10H2,1-2H3,(H,22,25)