methyl 4-[[2-(2-oxidanylidene-2-phenylazanyl-ethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]sulfanyl]butanoate

Systemtic Name: methyl 4-[[2-(2-oxidanylidene-2-phenylazanyl-ethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]sulfanyl]butanoate Openeye Name: methyl 4-[[2-(2-anilino-2-oxo-ethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]sulfanyl]butanoate CAS Name: 4-[[2-(2-anilino-2-oxoethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-anilino-2-oxoethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]sulfanyl]butanoate Traditional Name: 4-[[2-(2-anilino-2-keto-ethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]thio]butyric acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1C(OC2=CC=CC=C2O1)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCSC1C(OC2=CC=CC=C2O1)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23NO5S/c1-25-20(24)12-7-13-28-21-18(26-16-10-5-6-11-17(16)27-21)14-19(23)22-15-8-3-2-4-9-15/h2-6,8-11,18,21H,7,12-14H2,1H3,(H,22,23)