2-[(2S)-1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[(2S)-1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[(1S)-2-(2,6-diethylanilino)-1-methyl-2-oxo-ethyl]thiazole-4-carboxylate CAS Name: 2-[(2S)-1-(2,6-diethylanilino)-1-oxopropan-2-yl]-4-thiazolecarboxylate IUPAC Name: 2-[(2S)-1-(2,6-diethylanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(1S)-2-(2,6-diethylanilino)-2-keto-1-methyl-ethyl]thiazole-4-carboxylate Formula: C17H19N2O3S- MolecularWeight: 331.40936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)C2=NC(=CS2)C(=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)[C@H](C)C2=NC(=CS2)C(=O)[O-]

InChI

InChI=1S/C17H20N2O3S/c1-4-11-7-6-8-12(5-2)14(11)19-15(20)10(3)16-18-13(9-23-16)17(21)22/h6-10H,4-5H2,1-3H3,(H,19,20)(H,21,22)/p-1/t10-/m0/s1