2-[2-[(2S)-1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[(2S)-1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[(1S)-2-(2-ethyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl]thiazol-4-yl]acetate CAS Name: 2-[2-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(1S)-2-(2-ethyl-6-methyl-anilino)-2-keto-1-methyl-ethyl]thiazol-4-yl]acetate Formula: C17H19N2O3S- MolecularWeight: 331.40936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)C2=NC(=CS2)CC(=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@H](C)C2=NC(=CS2)CC(=O)[O-])C

InChI

InChI=1S/C17H20N2O3S/c1-4-12-7-5-6-10(2)15(12)19-16(22)11(3)17-18-13(9-23-17)8-14(20)21/h5-7,9,11H,4,8H2,1-3H3,(H,19,22)(H,20,21)/p-1/t11-/m0/s1