S-[1-(3-methoxy-4-phenylmethoxy-phenyl)-2-nitro-ethyl] ethanethioate

Systemtic Name: S-[1-(3-methoxy-4-phenylmethoxy-phenyl)-2-nitro-ethyl] ethanethioate Openeye Name: S-[1-(4-benzyloxy-3-methoxy-phenyl)-2-nitro-ethyl] ethanethioate CAS Name: ethanethioic acid S-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-nitroethyl] ester IUPAC Name: S-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-nitroethyl] ethanethioate Traditional Name: ethanethioic acid S-[1-(4-benzoxy-3-methoxy-phenyl)-2-nitro-ethyl] ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C[N+](=O)[O-])C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

Isomeric SMILES

CC(=O)SC(C[N+](=O)[O-])C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C18H19NO5S/c1-13(20)25-18(11-19(21)22)15-8-9-16(17(10-15)23-2)24-12-14-6-4-3-5-7-14/h3-10,18H,11-12H2,1-2H3