methyl 4-[[3-(2-oxidanylidene-2-phenylazanyl-ethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]sulfanyl]butanoate

Systemtic Name: methyl 4-[[3-(2-oxidanylidene-2-phenylazanyl-ethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]sulfanyl]butanoate Openeye Name: methyl 4-[[3-(2-anilino-2-oxo-ethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]sulfanyl]butanoate CAS Name: 4-[[3-(2-anilino-2-oxoethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-anilino-2-oxoethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]sulfanyl]butanoate Traditional Name: 4-[[3-(2-anilino-2-keto-ethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]thio]butyric acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=CC2=C(C=C1)OCC(O2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCSC1=CC2=C(C=C1)OCC(O2)CC(=O)NC3=CC=CC=C3

InChI

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