O-ethyl [1-cyclopropyl-3-(4-methoxy-3-phenylmethoxy-phenyl)-2-nitro-propyl]sulfanylmethanethioate

Systemtic Name: O-ethyl [1-cyclopropyl-3-(4-methoxy-3-phenylmethoxy-phenyl)-2-nitro-propyl]sulfanylmethanethioate Openeye Name: O-ethyl [3-(3-benzyloxy-4-methoxy-phenyl)-1-cyclopropyl-2-nitro-propyl]sulfanylmethanethioate CAS Name: [[1-cyclopropyl-3-(4-methoxy-3-phenylmethoxyphenyl)-2-nitropropyl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [1-cyclopropyl-3-(4-methoxy-3-phenylmethoxyphenyl)-2-nitropropyl]sulfanylmethanethioate Traditional Name: [[3-(3-benzoxy-4-methoxy-phenyl)-1-cyclopropyl-2-nitro-propyl]thio]methanethioic acid O-ethyl ester Formula: C23H27NO5S2 MolecularWeight: 461.59418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(C1CC1)C(CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=S)SC(C1CC1)C(CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27NO5S2/c1-3-28-23(30)31-22(18-10-11-18)19(24(25)26)13-17-9-12-20(27-2)21(14-17)29-15-16-7-5-4-6-8-16/h4-9,12,14,18-19,22H,3,10-11,13,15H2,1-2H3