[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate

Systemtic Name: [(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate Openeye Name: [(1S)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 2-phenylthiazole-4-carboxylate CAS Name: 2-phenyl-4-thiazolecarboxylic acid [(2S)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate Traditional Name: 2-phenylthiazole-4-carboxylic acid [(1S)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CCCCC1)OC(=O)C2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-15(19(24)22-13-12-16-8-4-2-5-9-16)26-21(25)18-14-27-20(23-18)17-10-6-3-7-11-17/h3,6-8,10-11,14-15H,2,4-5,9,12-13H2,1H3,(H,22,24)/t15-/m0/s1