(2-cyanophenyl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: (2-cyanophenyl)methyl 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid (2-cyanobenzyl) ester Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC2=CC=CC=C2C#N

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C17H19N3O2S/c1-12(2)7-8-19-17-20-15(11-23-17)16(21)22-10-14-6-4-3-5-13(14)9-18/h3-6,11-12H,7-8,10H2,1-2H3,(H,19,20)