[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-azanyl-3,5-bis(chloranyl)benzoate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-azanyl-3,5-bis(chloranyl)benzoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 2-amino-3,5-dichloro-benzoate CAS Name: 2-amino-3,5-dichlorobenzoic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate Traditional Name: 2-amino-3,5-dichloro-benzoic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H17Cl2NO3 MolecularWeight: 366.23848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC(=C2N)Cl)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=CC(=C2N)Cl)Cl

InChI

InChI=1S/C18H17Cl2NO3/c1-3-11-4-6-12(7-5-11)17(22)10(2)24-18(23)14-8-13(19)9-15(20)16(14)21/h4-10H,3,21H2,1-2H3/t10-/m0/s1