methyl 2-[2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H23NO6S2 MolecularWeight: 449.54042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)COC2=CC=C(C=C2)C3SCCS3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)COC2=CC=C(C=C2)C3SCCS3)OC

InChI

InChI=1S/C21H23NO6S2/c1-25-17-10-15(20(24)27-3)16(11-18(17)26-2)22-19(23)12-28-14-6-4-13(5-7-14)21-29-8-9-30-21/h4-7,10-11,21H,8-9,12H2,1-3H3,(H,22,23)