S-[2-[[6-(2,3-dihydro-1-benzofuran-6-ylamino)-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[[6-(2,3-dihydro-1-benzofuran-6-ylamino)-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[[6-(2,3-dihydrobenzofuran-6-ylamino)-6-oxo-hexyl]amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[6-(2,3-dihydrobenzofuran-6-ylamino)-6-oxohexyl]amino]-2-oxoethyl] ester IUPAC Name: S-[2-[[6-(2,3-dihydro-1-benzofuran-6-ylamino)-6-oxohexyl]amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[6-(coumaran-6-ylamino)-6-keto-hexyl]amino]-2-keto-ethyl] ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NCCCCCC(=O)NC1=CC2=C(CCO2)C=C1

Isomeric SMILES

CC(=O)SCC(=O)NCCCCCC(=O)NC1=CC2=C(CCO2)C=C1

InChI

InChI=1S/C18H24N2O4S/c1-13(21)25-12-18(23)19-9-4-2-3-5-17(22)20-15-7-6-14-8-10-24-16(14)11-15/h6-7,11H,2-5,8-10,12H2,1H3,(H,19,23)(H,20,22)