[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [(1R)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [(1R)-2-(indan-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OC(C)C(=O)NC2=CC3=C(CCC3)C=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CSC(=N3)NCCC(C)C

InChI

InChI=1S/C21H27N3O3S/c1-13(2)9-10-22-21-24-18(12-28-21)20(26)27-14(3)19(25)23-17-8-7-15-5-4-6-16(15)11-17/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,22,24)(H,23,25)/t14-/m1/s1