[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [(1R)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OC(C)C(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CSC(=N2)NCCC(C)C

InChI

InChI=1S/C17H20N4O3S2/c1-10(2)4-6-19-17-20-13(9-26-17)16(23)24-11(3)14(22)21-15-12(8-18)5-7-25-15/h5,7,9-11H,4,6H2,1-3H3,(H,19,20)(H,21,22)/t11-/m1/s1