S-(4-methoxyphenyl) (3R)-3-(2,4-dichlorophenyl)-4-nitro-butanethioate

Systemtic Name: S-(4-methoxyphenyl) (3R)-3-(2,4-dichlorophenyl)-4-nitro-butanethioate Openeye Name: S-(4-methoxyphenyl) (3R)-3-(2,4-dichlorophenyl)-4-nitro-butanethioate CAS Name: (3R)-3-(2,4-dichlorophenyl)-4-nitrobutanethioic acid S-(4-methoxyphenyl) ester IUPAC Name: S-(4-methoxyphenyl) (3R)-3-(2,4-dichlorophenyl)-4-nitrobutanethioate Traditional Name: (3R)-3-(2,4-dichlorophenyl)-4-nitro-butanethioic acid S-(4-methoxyphenyl) ester Formula: C17H15Cl2NO4S MolecularWeight: 400.2763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC(=O)CC(C[N+](=O)[O-])C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)SC(=O)C[C@@H](C[N+](=O)[O-])C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H15Cl2NO4S/c1-24-13-3-5-14(6-4-13)25-17(21)8-11(10-20(22)23)15-7-2-12(18)9-16(15)19/h2-7,9,11H,8,10H2,1H3/t11-/m0/s1