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

Systemtic Name: methyl 2-[2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]acetyl]amino]benzoate CAS Name: 2-[[2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]acetyl]amino]benzoic acid methyl ester Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H21NO5S2/c1-24-17-11-13(20-27-9-10-28-20)7-8-16(17)26-12-18(22)21-15-6-4-3-5-14(15)19(23)25-2/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)