[4-(azocan-1-ylcarbothioyl)-2,6-dimethoxy-phenyl] ethanoate

Systemtic Name: [4-(azocan-1-ylcarbothioyl)-2,6-dimethoxy-phenyl] ethanoate Openeye Name: [4-(azocane-1-carbothioyl)-2,6-dimethoxy-phenyl] acetate CAS Name: acetic acid [4-[1-azocanyl(sulfanylidene)methyl]-2,6-dimethoxyphenyl] ester IUPAC Name: [4-(azocane-1-carbothioyl)-2,6-dimethoxyphenyl] acetate Traditional Name: acetic acid [4-(azocane-1-carbothioyl)-2,6-dimethoxy-phenyl] ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1OC)C(=S)N2CCCCCCC2)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1OC)C(=S)N2CCCCCCC2)OC

InChI

InChI=1S/C18H25NO4S/c1-13(20)23-17-15(21-2)11-14(12-16(17)22-3)18(24)19-9-7-5-4-6-8-10-19/h11-12H,4-10H2,1-3H3